Vitas-M small molecule compound
ethyl (4Z)-4-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168525
SMILES COCCN1C(=O)/C(=C\c2cc(n(c2C)c2ccc(cc2)C)C)/C(=C1C)C(=O)OCC
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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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-7-31-25(29)23-19(5)26(12-13-30-6)24(28)22(23)15-20-14-17(3)27(18(20)4)21-10-8-16(2)9-11-21/h8-11,14-15H,7,12-13H2,1-6H3/b22-15-InChIKey
LHJJZFDDXAUOAW-JCMHNJIXSA-NSynonyms
CCOC(=O)C1=C(N(C(=O)C1=CC2=C(N(C(=C2)C)C3=CC=C(C=C3)C)C)CCOC)C
COCCN1C(=O)C(=Cc2cc(n(c2C)c2ccc(cc2)C)C)C(=C1C)C(=O)OCC
ETHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
ETHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)PYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
ETHYL4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
InChI=1SC25H30N2O4c173125(29)2319(5)26(1213306)24(28)22(23)15201417(3)27(18(20)4)2110816(2)91121h8111415H71213H216H3b2215
MFCD03235384
ZINC000014010517
ZINC14010517
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.