Vitas-M small molecule compound
ethyl (5Z)-5-(4-tert-butylbenzylidene)-2-[(3-chlorophenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK015524
SMILES CCOC(=O)C1=C(Nc2cccc(c2)Cl)S/C(=C\c2ccc(cc2)C(C)(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 C24H24ClNO3S MW 441.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClNO3S/c1-5-29-23(28)20-21(27)19(13-15-9-11-16(12-10-15)24(2,3)4)30-22(20)26-18-8-6-7-17(25)14-18/h6-14,26H,5H2,1-4H3/b19-13-InChIKey
BLFMUAKOVRKFSK-UYRXBGFRSA-NSynonyms
CCOC(=O)C1=C(Nc2cccc(c2)Cl)SC(=Cc2ccc(cc2)C(C)(C)C)C1=O
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)C(C)(C)C)C1=O)NC3=CC(=CC=C3)Cl
ETHYL(5Z)5((4TERTBUTYLPHENYL)METHYLIDENE)2(3CHLOROANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL(5Z)5(4TERTBUTYLBENZYLIDENE)2((3CHLOROPHENYL)AMINO)4OXO45DIHYDROTHIOPHENE3CARBOXYLATE
InChI=1SC24H24ClNO3Sc152923(28)2021(27)19(131591116(121015)24(23)4)3022(20)261886717(25)1418h61426H5H214H3b1913
MFCD08049604
STK015524
ZINC000013940128
ZINC13940128
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