Vitas-M small molecule compound

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

Catalog ID
STK280223
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 C27H27BrN2O3S MW 539.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27BrN2O3S/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/h5-15,31H,4,16-17H2,1-3H3
InChIKey
VHAJPYGUYRGEQE-UHFFFAOYSA-N
Synonyms
116736-31-3
116736313
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN(C)C)O)Br)C3=CC=CC=C3)CSC4=CC=CC=C4
CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN(C)C)c(O)c(c2)Br)c1ccccc1Cl
ethyl6bromo4((dimethylamino)methyl)5hydroxy1phenyl2((phenylsulfanyl)methyl)1Hindole3carboxylate
ethyl6bromo4((dimethylamino)methyl)5hydroxy1phenyl2((phenylthio)methyl)1Hindole3carboxylatehydrochloride
ethyl6bromo4((dimethylamino)methyl)5hydroxy1phenyl2(phenylsulfanylmethyl)indole3carboxylate
ETHYL6BROMO4(DIMETHYLAMINOMETHYL)5HYDROXY1PHENYL2(PHENYLSULFANYLMETHYL)INDOLE3CARBOXYLATE
InChI=1SC27H27BrN2O3Sc143327(32)2523(1734191396101419)30(18117581218)221521(28)26(31)20(24(22)25)1629(2)3h51531H41617H213H3
MFCD00315610
ZINC000001795473
ZINC1795473

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Available files

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