Vitas-M small molecule compound
methyl (4Z)-1-[4-(ethoxycarbonyl)phenyl]-2-methyl-5-oxo-4-(thiophen-2-ylmethylidene)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161436
SMILES CCOC(=O)c1ccc(cc1)N1C(=C(/C(=C/c2cccs2)/C1=O)C(=O)OC)C
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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 C21H19NO5S MW 397.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19NO5S/c1-4-27-20(24)14-7-9-15(10-8-14)22-13(2)18(21(25)26-3)17(19(22)23)12-16-6-5-11-28-16/h5-12H,4H2,1-3H3/b17-12-InChIKey
KRICUMJTUDZGOW-ATVHPVEESA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)N2C(=C(C(=CC3=CC=CS3)C2=O)C(=O)OC)C
CCOC(=O)c1ccc(cc1)N1C(=C(C(=Cc2cccs2)C1=O)C(=O)OC)C
InChI=1SC21H19NO5Sc142720(24)147915(10814)2213(2)18(21(25)263)17(19(22)23)121665112816h512H4H213H3b1712
METHYL(4Z)1(4(ETHOXYCARBONYL)PHENYL)2METHYL5OXO4(THIOPHEN2YLMETHYLIDENE)45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)1(4ETHOXYCARBONYLPHENYL)2METHYL5OXO4(THIOPHEN2YLMETHYLIDENE)PYRROLE3CARBOXYLATE
MFCD03252720
ZINC000004699094
ZINC04699094
ZINC4699094
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