Vitas-M small molecule compound
ethyl (5Z)-2-{[(4-methoxyphenyl)carbonyl]amino}-4-oxo-5-[4-(pyrrolidin-1-yl)benzylidene]-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL369472
SMILES CCOC(=O)C1=C(S/C(=C\c2ccc(cc2)N2CCCC2)/C1=O)NC(=O)c1ccc(cc1)OC
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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 C26H26N2O5S MW 478.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N2O5S/c1-3-33-26(31)22-23(29)21(16-17-6-10-19(11-7-17)28-14-4-5-15-28)34-25(22)27-24(30)18-8-12-20(32-2)13-9-18/h6-13,16H,3-5,14-15H2,1-2H3,(H,27,30)/b21-16-InChIKey
GYKAXDFROYBYRH-PGMHBOJBSA-NSynonyms
CCOC(=O)C1=C(SC(=CC2=CC=C(C=C2)N3CCCC3)C1=O)NC(=O)C4=CC=C(C=C4)OC
CCOC(=O)C1=C(SC(=Cc2ccc(cc2)N2CCCC2)C1=O)NC(=O)c1ccc(cc1)OC
ethyl(5Z)2(((4methoxyphenyl)carbonyl)amino)4oxo5(4(pyrrolidin1yl)benzylidene)45dihydrothiophene3carboxylate
ETHYL(5Z)2((4METHOXYBENZOYL)AMINO)4OXO5((4PYRROLIDIN1YLPHENYL)METHYLIDENE)THIOPHENE3CARBOXYLATE
InChI=1SC26H26N2O5Sc133326(31)2223(29)21(161761019(11717)2814451528)3425(22)2724(30)1881220(322)13918h61316H351415H212H3(H2730)b2116
MFCD03720742
ZINC000009296123
ZINC09296123
ZINC9296123
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