Vitas-M small molecule compound
ethyl (5Z)-5-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-[(4-ethylphenyl)amino]-4-oxo-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL374685
SMILES CCOC(=O)C1=C(Nc2ccc(cc2)CC)S/C(=C\c2cc(n(c2C)c2ccc(cc2)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 C29H30N2O3S MW 486.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N2O3S/c1-6-21-10-12-23(13-11-21)30-28-26(29(33)34-7-2)27(32)25(35-28)17-22-16-19(4)31(20(22)5)24-14-8-18(3)9-15-24/h8-17,30H,6-7H2,1-5H3/b25-17-InChIKey
QJMXVGZPGNASJP-UQQQWYQISA-NSynonyms
CCC1=CC=C(C=C1)NC2=C(C(=O)C(=CC3=C(N(C(=C3)C)C4=CC=C(C=C4)C)C)S2)C(=O)OCC
CCOC(=O)C1=C(Nc2ccc(cc2)CC)SC(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C1=O
ethyl(5Z)5((25dimethyl1(4methylphenyl)1Hpyrrol3yl)methylidene)2((4ethylphenyl)amino)4oxo45dihydrothiophene3carboxylate
ETHYL(5Z)5((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)2(4ETHYLANILINO)4OXOTHIOPHENE3CARBOXYLATE
ETHYL5((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLENE)2(4ETHYLANILINO)4OXO45DIHYDRO3THIOPHENECARBOXYLATE
InChI=1SC29H30N2O3Sc1621101223(131121)302826(29(33)3472)27(32)25(3528)17221619(4)31(20(22)5)2414818(3)91524h81730H67H215H3b2517
MFCD02803122
ZINC000008438438
ZINC08438438
ZINC8438438
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.