Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-{[(3-cyano-5-ethyl-4,6-dimethylpyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK760575
SMILES CCOC(=O)c1c2cc(OC(=O)C)c(cc2n(c1CSc1nc(C)c(c(c1C#N)C)CC)C)Br
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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 C25H26BrN3O4S MW 544.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O4S/c1-7-16-13(3)18(11-27)24(28-14(16)4)34-12-21-23(25(31)32-8-2)17-9-22(33-15(5)30)19(26)10-20(17)29(21)6/h9-10H,7-8,12H2,1-6H3InChIKey
FMMLFGWOWMOPHQ-UHFFFAOYSA-NSynonyms
340007-34-3340007343
CCC1=C(N=C(C(=C1C)C#N)SCC2=C(C3=CC(=C(C=C3N2C)Br)OC(=O)C)C(=O)OCC)C
ETHYL5(ACETYLOXY)6BROMO2(((3CYANO5ETHYL46DIMETHYL2PYRIDINYL)SULFANYL)METHYL)1METHYL1HINDOLE3CARBOXYLATE
ethyl5(acetyloxy)6bromo2(((3cyano5ethyl46dimethylpyridin2yl)sulfanyl)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((3CYANO5ETHYL46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC25H26BrN3O4Sc171613(3)18(1127)24(2814(16)4)34122123(25(31)3282)17922(3315(5)30)19(26)1020(17)29(21)6h910H7812H216H3
MFCD01210289
ZINC000000650218
ZINC00650218
ZINC650218
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