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Vitas-M small molecule compound

ethyl 6-bromo-4-[(dimethylamino)methyl]-5-hydroxy-1-methyl-2-{[(4-methylphenyl)sulfanyl]methyl}-1H-indole-3-carboxylate

Catalog ID
STK699675
SMILES CCOC(=O)c1c(CSc2ccc(cc2)C)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 C23H27BrN2O3S MW 491.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H27BrN2O3S/c1-6-29-23(28)21-19(13-30-15-9-7-14(2)8-10-15)26(5)18-11-17(24)22(27)16(20(18)21)12-25(3)4/h7-11,27H,6,12-13H2,1-5H3
InChIKey
VLSGAOYACVQQIC-UHFFFAOYSA-N
Synonyms
172421-87-3
172421873
6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2(((4METHYLPHENYL)THIO)METHYL)3INDOLECARBOXYLICACIDETHYLESTERHYDRATEHYDROCHLORIDE
6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((PTOLYLTHIO)METHYL)INDOLE3CARBOXYLICACIDETHYLESTERHYDRATEHYDROCHLORIDE
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C)CSC3=CC=C(C=C3)C
CCOC(=O)c1c(CSc2ccc(cc2)C)n(c2c1c(CN(C)C)c(O)c(c2)Br)COCl
ETHYL4((DIMETHYLAMINO)METHYL)6BROMO5HYDROXY1METHYL2((4METHYLPHENYLTHIO)METHYL)INDOLE3CARBOXYLATE
ETHYL6BROMANYL4((DIMETHYLAMINO)METHYL)1METHYL2((4METHYLPHENYL)SULFANYLMETHYL)5OXIDANYLINDOLE3CARBOXYLATEHYDRATEHYDROCHLORIDE
ethyl6bromo4((dimethylamino)methyl)5hydroxy1methyl2(((4methylphenyl)sulfanyl)methyl)1Hindole3carboxylate
ethyl6bromo4((dimethylamino)methyl)5hydroxy1methyl2((4methylphenyl)sulfanylmethyl)indole3carboxylate
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)5HYDROXY1METHYL2((4METHYLPHENYL)SULFANYLMETHYL)INDOLE3CARBOXYLATEHYDRATEHYDROCHLORIDE
ethyl6bromo4((dimethylamino)methyl)5hydroxy1methyl2((ptolylthio)methyl)1Hindole3carboxylatehydrochloridehydrate
ETHYL6BROMO4(DIMETHYLAMINOMETHYL)5HYDROXY1METHYL2((4METHYLPHENYL)SULFANYLMETHYL)INDOLE3CARBOXYLATE
InChI=1SC23H27BrN2O3Sc162923(28)2119(1330159714(2)81015)26(5)181117(24)22(27)16(20(18)21)1225(3)4h71127H61213H215H3
MFCD00335249
ZINC000019898162
ZINC19898162

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Available files

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