Vitas-M small molecule compound
methyl (5Z)-2-[(3,4-dichlorophenyl)amino]-4-oxo-5-[4-(trifluoromethoxy)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158501
SMILES COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccc(cc2)OC(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 C20H12Cl2F3NO4S MW 490.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H12Cl2F3NO4S/c1-29-19(28)16-17(27)15(8-10-2-5-12(6-3-10)30-20(23,24)25)31-18(16)26-11-4-7-13(21)14(22)9-11/h2-9,26H,1H3/b15-8-InChIKey
CZWIORXXJGUAEC-NVNXTCNLSA-NSynonyms
COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)SC(=Cc2ccc(cc2)OC(F)(F)F)C1=O
COC(=O)C1=C(SC(=CC2=CC=C(C=C2)OC(F)(F)F)C1=O)NC3=CC(=C(C=C3)Cl)Cl
InChI=1SC20H12Cl2F3NO4Sc12919(28)1617(27)15(8102512(6310)3020(2324)25)3118(16)26114713(21)14(22)911h2926H1H3b158
METHYL(5Z)2((34DICHLOROPHENYL)AMINO)4OXO5(4(TRIFLUOROMETHOXY)BENZYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
METHYL(5Z)2(34DICHLOROANILINO)4OXO5((4(TRIFLUOROMETHOXY)PHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
MFCD08674907
ZINC000014008899
ZINC14008899
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