Vitas-M small molecule compound
propan-2-yl 2-{[(2E)-2-cyano-3-(4-{[3-(trifluoromethyl)benzyl]oxy}phenyl)prop-2-enoyl]amino}thiophene-3-carboxylate
Catalog ID
STK472712
SMILES N#C/C(=C\c1ccc(cc1)OCc1cccc(c1)C(F)(F)F)/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 C26H21F3N2O4S MW 514.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21F3N2O4S/c1-16(2)35-25(33)22-10-11-36-24(22)31-23(32)19(14-30)12-17-6-8-21(9-7-17)34-15-18-4-3-5-20(13-18)26(27,28)29/h3-13,16H,15H2,1-2H3,(H,31,32)/b19-12+InChIKey
IPNRNWCZJGMSMX-XDHOZWIPSA-NSynonyms
CC(C)OC(=O)C1=C(SC=C1)NC(=O)C(=CC2=CC=C(C=C2)OCC3=CC(=CC=C3)C(F)(F)F)C#N
InChI=1SC26H21F3N2O4Sc116(2)3525(33)2210113624(22)3123(32)19(1430)12176821(9717)34151843520(1318)26(2728)29h31316H15H212H3(H3132)b1912+
METHYLETHYL2((2E)2CYANO3(4((3(TRIFLUOROMETHYL)PHENYL)METHOXY)PHENYL)PROP2ENOYLAMINO)THIOPHENE3CARBOXYLATE
MFCD07093405
N#CC(=Cc1ccc(cc1)OCc1cccc(c1)C(F)(F)F)C(=O)Nc1sccc1C(=O)OC(C)C
propan2yl2(((2E)2cyano3(4((3(trifluoromethyl)benzyl)oxy)phenyl)prop2enoyl)amino)thiophene3carboxylate
propan2yl2(((E)2cyano3(4((3(trifluoromethyl)phenyl)methoxy)phenyl)prop2enoyl)amino)thiophene3carboxylate
ZINC000020549849
ZINC20549849
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