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Vitas-M small molecule compound

ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate

Catalog ID
STK021887
SMILES CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C

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We supply compounds in quantities from 1 mg up to 5 g for research and development purposes only.

We do not supply quantities above 5 g.

Structure and other identifiers

2D representation rendered from the SMILES, with core physicochemical data.
Formula C22H25BrN2O3S MW 477.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25BrN2O3S/c1-5-28-22(27)20-18(13-29-14-9-7-6-8-10-14)25(4)17-11-16(23)21(26)15(19(17)20)12-24(2)3/h6-11,26H,5,12-13H2,1-4H3
InChIKey
KCFYEAOKVJSACF-UHFFFAOYSA-N
Synonyms
131707-25-0
131707250
1HINDOLE3CARBOXYLICACID6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLTHIO)METHYL)ETHYLESTER
1HINDOLE3CARBOXYLICACID6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLTHIO)METHYL)ETHYLESTERMONOHYDROCHLORIDEHYDRATE
1HINDOLE3CARBOXYLICACID6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLTHIO)METHYL)ETHYLESTERMOONOHYDROCHLORIDE
1METHYL2((PHENYLTHIO)METHYL)3CARBETHOXY4((DIMETHYLAMINO)METHYL)5HYDROXY6BROMINDOLEHYDROCHLORIDE
6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLTHIO)METHYL)3INDOLECARBOXYLICACIDETHYLESTER
6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLTHIO)METHYL)INDOLE3CARBOXYLICACIDETHYLESTER
6BROMO4DIMETHYLAMINOMETHYL5HYDROXY1METHYL2PHENYLSULFANYLMETHYL1HINDOLE3CARBOXYLICACIDETHYLESTER
6BROMO5HYDROXY4METHYLAMINOMETHYL1METHYL2BENZENESULFENYLMETHYLINDOLE3ETHYLCARBOXYLATE
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=CC=C3
CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C
ETHYL4((DIMETHYLAMINO)METHYL)6BROMO5HYDROXY1METHYL2(PHENYLTHIOMETHYL)INDOLE3CARBOXYLATE
ETHYL6BROMANYL4((DIMETHYLAMINO)METHYL)1METHYL5OXIDANYL2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLSULFANYL)METHYL)1HINDOLE3CARBOXYLATE
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLSULFANYL)METHYL)INDOLE3CARBOXYLATE
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PHENYLTHIO)METHYL)1HINDOLE3CARBOXYLATE
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
ETHYL6BROMO4(DIMETHYLAMINOMETHYL)5HYDROXY1METHYL2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
ETHYL6BROMO4(DIMETHYLAMINOMETHYL)5HYDROXY1METHYL2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATEHYDRATEHYDROCHLORIDE
InChI=1SC22H25BrN2O3Sc152822(27)2018(13291497681014)25(4)171116(23)21(26)15(19(17)20)1224(2)3h61126H51213H214H3
MFCD01326495
STK021887
ZINC000019907652
ZINC19907652

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Available files

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