Vitas-M small molecule compound
ethyl (5Z)-2-[(4-nitrophenyl)amino]-4-oxo-5-[4-(trifluoromethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK038123
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)[N+](=O)[O-])S/C(=C\c2ccc(cc2)C(F)(F)F)/C1=O
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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 C21H15F3N2O5S MW 464.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H15F3N2O5S/c1-2-31-20(28)17-18(27)16(11-12-3-5-13(6-4-12)21(22,23)24)32-19(17)25-14-7-9-15(10-8-14)26(29)30/h3-11,25H,2H2,1H3/b16-11-InChIKey
DDYVXJZVEZPIOG-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)(N+)(=O)(O))SC(=Cc2ccc(cc2)C(F)(F)F)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)C(F)(F)F)C1=O)NC3=CC=C(C=C3)(N+)(=O)(O)
ETHYL(5Z)2((4NITROPHENYL)AMINO)4OXO5(4(TRIFLUOROMETHYL)BENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4NITROANILINO)4OXO5((4(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC21H15F3N2O5Sc123120(28)1718(27)16(11123513(6412)21(2223)24)3219(17)25147915(10814)26(29)30h31125H2H21H3b1611
MFCD08050559
STK038123
ZINC000009246700
ZINC09246700
ZINC9246700
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