Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-{[(6-butyl-3-cyanopyridin-2-yl)sulfanyl]methyl}-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK523021
SMILES CCCCc1ccc(c(n1)SCc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)OC(=O)C)C#N
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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/c1-5-7-8-17-10-9-16(13-27)24(28-17)34-14-21-23(25(31)32-6-2)18-11-22(33-15(3)30)19(26)12-20(18)29(21)4/h9-12H,5-8,14H2,1-4H3InChIKey
DLKKIROMBWVHJI-UHFFFAOYSA-NSynonyms
6BROMO2((6BUTYL3CYANO(2PYRIDYLTHIO))METHYL)3(ETHOXYCARBONYL)1METHYLINDOL5YLACETATE
CCCCC1=NC(=C(C=C1)C#N)SCC2=C(C3=CC(=C(C=C3N2C)Br)OC(=O)C)C(=O)OCC
ethyl5(acetyloxy)6bromo2(((6butyl3cyanopyridin2yl)sulfanyl)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((6BUTYL3CYANOPYRIDIN2YL)SULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC25H26BrN3O4Sc15781710916(1327)24(2817)34142123(25(31)3262)181122(3315(3)30)19(26)1220(18)29(21)4h912H5814H214H3
MFCD01210352
ZINC000033353823
ZINC33353823
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