Vitas-M small molecule compound
ethyl (5Z)-4-oxo-2-(phenylamino)-5-[4-(trifluoromethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL438707
SMILES CCOC(=O)C1=C(Nc2ccccc2)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 C21H16F3NO3S MW 419.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16F3NO3S/c1-2-28-20(27)17-18(26)16(29-19(17)25-15-6-4-3-5-7-15)12-13-8-10-14(11-9-13)21(22,23)24/h3-12,25H,2H2,1H3/b16-12-InChIKey
VOSKIXOMVVSEKZ-VBKFSLOCSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)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=CC=C3
ETHYL(5Z)2ANILINO4OXO5((4(TRIFLUOROMETHYL)PHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
ethyl(5Z)4oxo2(phenylamino)5(4(trifluoromethyl)benzylidene)45dihydrothiophene3carboxylate
InChI=1SC21H16F3NO3Sc122820(27)1718(26)16(2919(17)25156435715)121381014(11913)21(2223)24h31225H2H21H3b1612
MFCD06239688
ZINC000008695570
ZINC08695570
ZINC8695570
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