Vitas-M small molecule compound
ethyl 5-(acetyloxy)-6-bromo-2-({[6-(but-3-en-1-yl)-3-cyanopyridin-2-yl]sulfanyl}methyl)-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK525124
SMILES C=CCCc1ccc(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 C25H24BrN3O4S MW 542.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24BrN3O4S/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/h5,9-12H,1,6-8,14H2,2-4H3InChIKey
WTCPGENTHGBTOT-UHFFFAOYSA-NSynonyms
370073-04-4370073044
5ACETOXY6BROMO2(6BUT3ENYL3CYANOPYRIDIN2YLSULFANYLMETHYL)1METHYL1HINDOLE3CARBOXYLICACIDETHYLESTER
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)OC(=O)C)Br)C)CSC3=C(C=CC(=N3)CCC=C)C#N
ethyl5(acetyloxy)6bromo2(((6(but3en1yl)3cyanopyridin2yl)sulfanyl)methyl)1methyl1Hindole3carboxylate
ethyl5acetoxy6bromo2(((6(but3en1yl)3cyanopyridin2yl)thio)methyl)1methyl1Hindole3carboxylate
ETHYL5ACETYLOXY6BROMO2((6BUT3ENYL3CYANOPYRIDIN2YL)SULFANYLMETHYL)1METHYLINDOLE3CARBOXYLATE
InChI=1SC25H24BrN3O4Sc15781710916(1327)24(2817)34142123(25(31)3262)181122(3315(3)30)19(26)1220(18)29(21)4h5912H16814H224H3
MFCD01210266
ZINC000008691677
ZINC8691677
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