Vitas-M small molecule compound
propan-2-yl 2-({(2E)-2-cyano-3-[3-(4-methoxyphenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)thiophene-3-carboxylate
Catalog ID
STK467140
SMILES N#C/C(=C\c1c[nH]nc1c1ccc(cc1)OC)/C(=O)Nc1sccc1C(=O)OC(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/c1-13(2)30-22(28)18-8-9-31-21(18)25-20(27)15(11-23)10-16-12-24-26-19(16)14-4-6-17(29-3)7-5-14/h4-10,12-13H,1-3H3,(H,24,26)(H,25,27)/b15-10+InChIKey
OEOGRKDUHDRAKH-XNTDXEJSSA-NSynonyms
CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)OC)C#N
InChI=1SC22H20N4O4Sc113(2)3022(28)18893121(18)2520(27)15(1123)101612242619(16)144617(293)7514h4101213H13H3(H2426)(H2527)b1510+
METHYLETHYL2((2E)2CYANO3(3(4METHOXYPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD06116993
N#CC(=Cc1c(nH)nc1c1ccc(cc1)OC)C(=O)Nc1sccc1C(=O)OC(C)C
propan2yl2(((2E)2cyano3(3(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)2cyano3(5(4methoxyphenyl)1Hpyrazol4yl)prop2enoyl)amino)thiophene3carboxylate
ZINC000017100197
ZINC17100197
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