Vitas-M small molecule compound
ethyl (5E)-2-[(4-chlorophenyl)amino]-5-[4-(diethylamino)benzylidene]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK158422
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)Cl)S/C(=C/c2ccc(cc2)N(CC)CC)/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 C24H25ClN2O3S MW 456.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25ClN2O3S/c1-4-27(5-2)19-13-7-16(8-14-19)15-20-22(28)21(24(29)30-6-3)23(31-20)26-18-11-9-17(25)10-12-18/h7-15,26H,4-6H2,1-3H3/b20-15+InChIKey
JGMTYCZAMUQIJD-HMMYKYKNSA-NSynonyms
CCN(CC)C1=CC=C(C=C1)C=C2C(=O)C(=C(S2)NC3=CC=C(C=C3)Cl)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)Cl)SC(=Cc2ccc(cc2)N(CC)CC)C1=O
ETHYL(5E)2((4CHLOROPHENYL)AMINO)5(4(DIETHYLAMINO)BENZYLIDENE)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5E)2(4CHLOROANILINO)5((4(DIETHYLAMINO)PHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
InChI=1SC24H25ClN2O3Sc1427(52)1913716(81419)152022(28)21(24(29)3063)23(3120)261811917(25)101218h71526H46H213H3b2015+
MFCD08679703
ZINC000002155834
ZINC02155834
ZINC2155834
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