Vitas-M small molecule compound
ethyl 2-({(2E)-2-cyano-3-[3-(4-fluorophenyl)-1H-pyrazol-4-yl]prop-2-enoyl}amino)-5-(propan-2-yl)thiophene-3-carboxylate
Catalog ID
STK473589
SMILES CCOC(=O)c1cc(sc1NC(=O)/C(=C/c1c[nH]nc1c1ccc(cc1)F)/C#N)C(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 C23H21FN4O3S MW 452.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21FN4O3S/c1-4-31-23(30)18-10-19(13(2)3)32-22(18)27-21(29)15(11-25)9-16-12-26-28-20(16)14-5-7-17(24)8-6-14/h5-10,12-13H,4H2,1-3H3,(H,26,28)(H,27,29)/b15-9+InChIKey
ZGMGJGPNWQXFDB-OQLLNIDSSA-NSynonyms
CCOC(=O)C1=C(SC(=C1)C(C)C)NC(=O)C(=CC2=C(NN=C2)C3=CC=C(C=C3)F)C#N
CCOC(=O)c1cc(sc1NC(=O)C(=Cc1c(nH)nc1c1ccc(cc1)F)C#N)C(C)C
ethyl2(((2E)2cyano3(3(4fluorophenyl)1Hpyrazol4yl)prop2enoyl)amino)5(propan2yl)thiophene3carboxylate
ethyl2(((E)2cyano3(5(4fluorophenyl)1Hpyrazol4yl)prop2enoyl)amino)5propan2ylthiophene3carboxylate
ETHYL2((2E)2CYANO3(3(4FLUOROPHENYL)PYRAZOL4YL)PROP2ENOYLAMINO)5(METHYLETHYL)THIOPHENE3CARBOXYLATE
InChI=1SC23H21FN4O3Sc143123(30)181019(13(2)3)3222(18)2721(29)15(1125)91612262820(16)145717(24)8614h5101213H4H213H3(H2628)(H2729)b159+
MFCD07093592
ZINC000020168610
ZINC20168610
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