Vitas-M small molecule compound
ethyl (4Z)-4-{[1-(2-chlorophenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-2-methyl-1-(2-methylpropyl)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK165158
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1cc(n(c1C)c1ccccc1Cl)C)CC(C)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 C25H29ClN2O3 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29ClN2O3/c1-7-31-25(30)23-18(6)27(14-15(2)3)24(29)20(23)13-19-12-16(4)28(17(19)5)22-11-9-8-10-21(22)26/h8-13,15H,7,14H2,1-6H3/b20-13-InChIKey
LPWOXHVPFRSEFH-MOSHPQCFSA-NSynonyms
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1cc(n(c1C)c1ccccc1Cl)C)CC(C)C
CCOC(=O)C1=C(N(C(=O)C1=CC2=C(N(C(=C2)C)C3=CC=CC=C3Cl)C)CC(C)C)C
ETHYL(4Z)4((1(2CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)4((1(2CHLOROPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)2METHYL1(2METHYLPROPYL)5OXOPYRROLE3CARBOXYLATE
ETHYL4((1(2CHLOROPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1ISOBUTYL2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC25H29ClN2O3c173125(30)2318(6)27(1415(2)3)24(29)20(23)13191216(4)28(17(19)5)2211981021(22)26h81315H714H216H3b2013
MFCD03067967
ZINC000014010094
ZINC14010094
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.