Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-(1-methyl-1H-pyrazol-4-yl)prop-2-enoyl]amino}-5-phenylthiophene-3-carboxylate
Catalog ID
STK467333
SMILES N#C/C(=C\c1cnn(c1)C)/C(=O)Nc1sc(cc1C(=O)OC)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 C20H16N4O3S MW 392.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O3S/c1-24-12-13(11-22-24)8-15(10-21)18(25)23-19-16(20(26)27-2)9-17(28-19)14-6-4-3-5-7-14/h3-9,11-12H,1-2H3,(H,23,25)/b15-8+InChIKey
YTNVEBOLLGFEFV-OVCLIPMQSA-NSynonyms
CN1C=C(C=N1)C=C(C#N)C(=O)NC2=C(C=C(S2)C3=CC=CC=C3)C(=O)OC
InChI=1SC20H16N4O3Sc1241213(112224)815(1021)18(25)231916(20(26)272)917(2819)146435714h391112H12H3(H2325)b158+
methyl2(((2E)2cyano3(1methyl1Hpyrazol4yl)prop2enoyl)amino)5phenylthiophene3carboxylate
methyl2(((E)2cyano3(1methylpyrazol4yl)prop2enoyl)amino)5phenylthiophene3carboxylate
METHYL2((2E)2CYANO3(1METHYLPYRAZOL4YL)PROP2ENOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD06105668
N#CC(=Cc1cnn(c1)C)C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1
ZINC000017080121
ZINC17080121
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