Vitas-M small molecule compound
ethyl (5Z)-2-[(4-methylphenyl)amino]-4-oxo-5-(pyridin-3-ylmethylidene)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STK065769
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)C)S/C(=C\c2cccnc2)/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 C20H18N2O3S MW 366.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O3S/c1-3-25-20(24)17-18(23)16(11-14-5-4-10-21-12-14)26-19(17)22-15-8-6-13(2)7-9-15/h4-12,22H,3H2,1-2H3/b16-11-InChIKey
HSURQNIXGHCVFQ-WJDWOHSUSA-NSynonyms
CCOC(=O)C1=C(Nc2ccc(cc2)C)SC(=Cc2cccnc2)C1=O
CCOC(=O)C1=C(SC(=CC2=CN=CC=C2)C1=O)NC3=CC=C(C=C3)C
ETHYL(5Z)2((4METHYLPHENYL)AMINO)4OXO5(PYRIDIN3YLMETHYLIDENE)45DIHYDROTHIOPHENE3CARBOXYLATE
ETHYL(5Z)2(4METHYLANILINO)4OXO5(PYRIDIN3YLMETHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC20H18N2O3Sc132520(24)1718(23)16(11145410211214)2619(17)22158613(2)7915h41222H3H212H3b1611
MFCD02214857
STK065769
ZINC000005074070
ZINC05074070
ZINC5074070
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