Vitas-M small molecule compound
methyl 2-({(2E)-2-cyano-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK469971
SMILES COc1ccc(cc1)c1n[nH]cc1/C=C(/C(=O)Nc1sccc1C(=O)OC)\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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-27-15-5-3-12(4-6-15)17-14(11-22-24-17)9-13(10-21)18(25)23-19-16(7-8-29-19)20(26)28-2/h3-9,11H,1-2H3,(H,22,24)(H,23,25)/b13-9+InChIKey
XFWHVSXXXTUCGC-UKTHLTGXSA-NSynonyms
COC1=CC=C(C=C1)C2=C(C=NN2)C=C(C#N)C(=O)NC3=C(C=CS3)C(=O)OC
COc1ccc(cc1)c1n(nH)cc1C=C(C(=O)Nc1sccc1C(=O)OC)C#N
InChI=1SC20H16N4O4Sc127155312(4615)1714(11222417)913(1021)18(25)231916(782919)20(26)282h3911H12H3(H2224)(H2325)b139+
methyl2(((2E)2cyano3(3(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
methyl2(((E)2cyano3(5(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
METHYL2((2E)2CYANO3(3(4METHOXYPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07075770
ZINC000017087895
ZINC17087895
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