Vitas-M small molecule compound
ethyl (5Z)-2-[(3,4-dichlorophenyl)amino]-5-[4-(dimethylamino)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK087832
SMILES CCOC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)S/C(=C\c2ccc(cc2)N(C)C)/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 C22H20Cl2N2O3S MW 463.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20Cl2N2O3S/c1-4-29-22(28)19-20(27)18(11-13-5-8-15(9-6-13)26(2)3)30-21(19)25-14-7-10-16(23)17(24)12-14/h5-12,25H,4H2,1-3H3/b18-11-InChIKey
IUMDGBPOBOFJHS-WQRHYEAKSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(c(c2)Cl)Cl)SC(=Cc2ccc(cc2)N(C)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)N(C)C)C1=O)NC3=CC(=C(C=C3)Cl)Cl
ETHYL(5Z)2((34DICHLOROPHENYL)AMINO)5(4(DIMETHYLAMINO)BENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ethyl(5Z)2(34dichloroanilino)5((4(dimethylamino)phenyl)methylidene)4oxothiophene3carboxylate
ETHYL(5Z)2(34DICHLOROANILINO)5((4DIMETHYLAMINOPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC22H20Cl2N2O3Sc142922(28)1920(27)18(11135815(9613)26(2)3)3021(19)251471016(23)17(24)1214h51225H4H213H3b1811
MFCD08674217
STK087832
ZINC000009680389
ZINC09680389
ZINC9680389
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