Vitas-M small molecule compound
methyl (5Z)-2-[(3,4-dichlorophenyl)amino]-4-oxo-5-[4-(2,2,2-trifluoroethyl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK982696
SMILES COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccc(cc2)CC(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 C21H14Cl2F3NO3S MW 488.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14Cl2F3NO3S/c1-30-20(29)17-18(28)16(8-11-2-4-12(5-3-11)10-21(24,25)26)31-19(17)27-13-6-7-14(22)15(23)9-13/h2-9,27H,10H2,1H3/b16-8-InChIKey
SPSPBABRTPDDJP-PXNMLYILSA-NSynonyms
COC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)SC(=Cc2ccc(cc2)CC(F)(F)F)C1=O
COC(=O)C1=C(SC(=CC2=CC=C(C=C2)CC(F)(F)F)C1=O)NC3=CC(=C(C=C3)Cl)Cl
InChI=1SC21H14Cl2F3NO3Sc13020(29)1718(28)16(8112412(5311)1021(2425)26)3119(17)27136714(22)15(23)913h2927H10H21H3b168
methyl(5Z)2((34dichlorophenyl)amino)4oxo5(4(222trifluoroethyl)benzylidene)45dihydrothiophene3carboxylate
methyl(5Z)2(34dichloroanilino)4oxo5((4(222trifluoroethyl)phenyl)methylidene)thiophene3carboxylate
MFCD18181550
ZINC000044974868
ZINC44974868
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