Vitas-M small molecule compound
ethyl 6-bromo-1-cyclohexyl-4-[(dimethylamino)methyl]-5-hydroxy-2-[(phenylsulfanyl)methyl]-1H-indole-3-carboxylate
Catalog ID
STK551794
SMILES CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)C1CCCCC1
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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 C27H33BrN2O3S MW 545.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H33BrN2O3S/c1-4-33-27(32)25-23(17-34-19-13-9-6-10-14-19)30(18-11-7-5-8-12-18)22-15-21(28)26(31)20(24(22)25)16-29(2)3/h6,9-10,13-15,18,31H,4-5,7-8,11-12,16-17H2,1-3H3InChIKey
KCDGLVHFKMAFFL-UHFFFAOYSA-NSynonyms
329209-24-7329209247
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3CCCCC3)CSC4=CC=CC=C4
ETHYL4((DIMETHYLAMINO)METHYL)6BROMO1CYCLOHEXYL5HYDROXY2(PHENYLTHIOMETHYL)INDOLE3CARBOXYLATE
ethyl6bromo1cyclohexyl4((dimethylamino)methyl)5hydroxy2((phenylsulfanyl)methyl)1Hindole3carboxylate
ethyl6bromo1cyclohexyl4((dimethylamino)methyl)5hydroxy2((phenylthio)methyl)1Hindole3carboxylate
ethyl6bromo1cyclohexyl4((dimethylamino)methyl)5hydroxy2(phenylsulfanylmethyl)indole3carboxylate
ETHYL6BROMO1CYCLOHEXYL4(DIMETHYLAMINOMETHYL)5HYDROXY2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
InChI=1SC27H33BrN2O3Sc143327(32)2523(1734191396101419)30(18117581218)221521(28)26(31)20(24(22)25)1629(2)3h691013151831H457811121617H213H3
MFCD00329032
ZINC000059844945
ZINC59844945
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