Vitas-M small molecule compound

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

Catalog ID
STK280222
SMILES CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)c1ccc(cc1)Cl

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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 C27H26BrClN2O3S MW 573.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26BrClN2O3S/c1-4-34-27(33)25-23(16-35-19-8-6-5-7-9-19)31(18-12-10-17(29)11-13-18)22-14-21(28)26(32)20(24(22)25)15-30(2)3/h5-14,32H,4,15-16H2,1-3H3
InChIKey
MFLYOUKVIZITHP-UHFFFAOYSA-N
Synonyms
116736-35-7
116736357
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=C(C=C3)Cl)CSC4=CC=CC=C4
ethyl6bromo1(4chlorophenyl)4((dimethylamino)methyl)5hydroxy2((phenylsulfanyl)methyl)1Hindole3carboxylate
ethyl6bromo1(4chlorophenyl)4((dimethylamino)methyl)5hydroxy2(phenylsulfanylmethyl)indole3carboxylate
ETHYL6BROMO1(4CHLOROPHENYL)4(DIMETHYLAMINOMETHYL)5HYDROXY2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
InChI=1SC27H26BrClN2O3Sc143427(33)2523(1635198657919)31(18121017(29)111318)221421(28)26(32)20(24(22)25)1530(2)3h51432H41516H213H3
MFCD01872626
ZINC000003670893
ZINC3670893

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.