Vitas-M small molecule compound
methyl 2-{[(2E)-2-cyano-3-{5-[3-(trifluoromethyl)phenyl]furan-2-yl}prop-2-enoyl]amino}-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STK949548
SMILES N#C/C(=C\c1ccc(o1)c1cccc(c1)C(F)(F)F)/C(=O)Nc1sc(c(c1C(=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 C23H17F3N2O4S MW 474.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H17F3N2O4S/c1-12-13(2)33-21(19(12)22(30)31-3)28-20(29)15(11-27)10-17-7-8-18(32-17)14-5-4-6-16(9-14)23(24,25)26/h4-10H,1-3H3,(H,28,29)/b15-10+InChIKey
PLJIOAXYXPEHOQ-XNTDXEJSSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)NC(=O)C(=CC2=CC=C(O2)C3=CC(=CC=C3)C(F)(F)F)C#N)C
InChI=1SC23H17F3N2O4Sc11213(2)3321(19(12)22(30)313)2820(29)15(1127)10177818(3217)1454616(914)23(2425)26h410H13H3(H2829)b1510+
methyl2(((2E)2cyano3(5(3(trifluoromethyl)phenyl)furan2yl)prop2enoyl)amino)45dimethylthiophene3carboxylate
METHYL2(((E)2CYANO3(5(3(TRIFLUOROMETHYL)PHENYL)FURAN2YL)PROP2ENOYL)AMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
METHYL2((2E)2CYANO3(5(3(TRIFLUOROMETHYL)PHENYL)(2FURYL))PROP2ENOYLAMINO)45DIMETHYLTHIOPHENE3CARBOXYLATE
MFCD04196283
N#CC(=Cc1ccc(o1)c1cccc(c1)C(F)(F)F)C(=O)Nc1sc(c(c1C(=O)OC)C)C
ZINC000012195041
ZINC12195041
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