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Vitas-M small molecule compound

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

Catalog ID
STK053565
SMILES CCOC(=O)c1c(CSc2ccc(cc2)OCC)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 C24H29BrN2O4S MW 521.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H29BrN2O4S/c1-6-30-15-8-10-16(11-9-15)32-14-20-22(24(29)31-7-2)21-17(13-26(3)4)23(28)18(25)12-19(21)27(20)5/h8-12,28H,6-7,13-14H2,1-5H3
InChIKey
VSYLCNZWOUMOSN-UHFFFAOYSA-N
Synonyms
172421-89-5
172421895
CCOC(=O)c1c(CSc2ccc(cc2)OCC)n(c2c1c(CN(C)C)c(O)c(c2)Br)C
CCOC(=O)c1c(CSc2ccc(cc2)OCC)n(c2c1c(CN(C)C)c(O)c(c2)Br)CCl
CCOC1=CC=C(C=C1)SCC2=C(C3=C(C(=C(C=C3N2C)Br)O)CN(C)C)C(=O)OCC
ETHYL4((DIMETHYLAMINO)METHYL)6BROMO2((4ETHOXYPHENYLTHIO)METHYL)5HYDROXY1METHYLINDOLE3CARBOXYLATE
ETHYL6BROMO4((DIMETHYLAMINO)METHYL)2(((4ETHOXYPHENYL)SULFANYL)METHYL)5HYDROXY1METHYL1HINDOLE3CARBOXYLATE
ethyl6bromo4((dimethylamino)methyl)2(((4ethoxyphenyl)thio)methyl)5hydroxy1methyl1Hindole3carboxylatehydrochloride
ethyl6bromo4((dimethylamino)methyl)2((4ethoxyphenyl)sulfanylmethyl)5hydroxy1methylindole3carboxylate
ETHYL6BROMO4(DIMETHYLAMINOMETHYL)2((4ETHOXYPHENYL)SULFANYLMETHYL)5HYDROXY1METHYLINDOLE3CARBOXYLATE
InChI=1SC24H29BrN2O4Sc16301581016(11915)32142022(24(29)3172)2117(1326(3)4)23(28)18(25)1219(21)27(20)5h81228H671314H215H3
MFCD01558742
STK053565
ZINC000019898160
ZINC19898160

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Available files

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