Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(1H-indol-3-yl)prop-2-enoyl]amino}-5-(dimethylcarbamoyl)-4-methylthiophene-3-carboxylate
Catalog ID
STK434336
SMILES N#C/C(=C\c1c[nH]c2c1cccc2)/C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
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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 C22H20N4O4S MW 436.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O4S/c1-12-17(22(29)30-4)20(31-18(12)21(28)26(2)3)25-19(27)13(10-23)9-14-11-24-16-8-6-5-7-15(14)16/h5-9,11,24H,1-4H3,(H,25,27)/b13-9+InChIKey
YFTIILIYPIXHTO-UKTHLTGXSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CNC3=CC=CC=C32)C#N)C(=O)N(C)C
InChI=1SC22H20N4O4Sc11217(22(29)304)20(3118(12)21(28)26(2)3)2519(27)13(1023)914112416865715(14)16h591124H14H3(H2527)b139+
methyl2(((2E)2cyano3(1Hindol3yl)prop2enoyl)amino)5(dimethylcarbamoyl)4methylthiophene3carboxylate
METHYL2(((E)2CYANO3(1HINDOL3YL)PROP2ENOYL)AMINO)5(DIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3INDOL3YLPROP2ENOYLAMINO)5(NNDIMETHYLCARBAMOYL)4METHYLTHIOPHENE3CARBOXYLATE
MFCD03942850
N#CC(=Cc1c(nH)c2c1cccc2)C(=O)Nc1sc(c(c1C(=O)OC)C)C(=O)N(C)C
ZINC000017100220
ZINC17100220
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Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.