Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-(4-ethylphenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)-5-phenylthiophene-3-carboxylate
Catalog ID
STK472680
SMILES N#C/C(=C\c1c[nH]nc1c1ccc(cc1)CC)/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 C27H22N4O3S MW 482.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N4O3S/c1-3-17-9-11-19(12-10-17)24-21(16-29-31-24)13-20(15-28)25(32)30-26-22(27(33)34-2)14-23(35-26)18-7-5-4-6-8-18/h4-14,16H,3H2,1-2H3,(H,29,31)(H,30,32)/b20-13+InChIKey
GWMTVPWJXKVAMR-DEDYPNTBSA-NSynonyms
CCC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NC3=C(C=C(S3)C4=CC=CC=C4)C(=O)OC
InChI=1SC27H22N4O3Sc131791119(121017)2421(16293124)1320(1528)25(32)302622(27(33)342)1423(3526)187546818h41416H3H212H3(H2931)(H3032)b2013+
methyl2(((2E)2cyano3(3(4ethylphenyl)1Hpyrazol4yl)prop2enoyl)amino)5phenylthiophene3carboxylate
methyl2(((E)2cyano3(5(4ethylphenyl)1Hpyrazol4yl)prop2enoyl)amino)5phenylthiophene3carboxylate
METHYL2((2E)2CYANO3(3(4ETHYLPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)5PHENYLTHIOPHENE3CARBOXYLATE
MFCD07093663
N#CC(=Cc1c(nH)nc1c1ccc(cc1)CC)C(=O)Nc1sc(cc1C(=O)OC)c1ccccc1
ZINC000020212514
ZINC20212514
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