Vitas-M small molecule compound
methyl (4Z)-4-{[1-(2,5-dimethylphenyl)-2,5-dimethyl-1H-pyrrol-3-yl]methylidene}-1-(2-methoxyethyl)-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160444
SMILES COCCN1C(=O)/C(=C\c2cc(n(c2C)c2cc(C)ccc2C)C)/C(=C1C)C(=O)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 C25H30N2O4 MW 422.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N2O4/c1-15-8-9-16(2)22(12-15)27-17(3)13-20(18(27)4)14-21-23(25(29)31-7)19(5)26(24(21)28)10-11-30-6/h8-9,12-14H,10-11H2,1-7H3/b21-14-InChIKey
IEWSIAULEWAZEZ-STZFKDTASA-NSynonyms
CC1=CC(=C(C=C1)C)N2C(=CC(=C2C)C=C3C(=C(N(C3=O)CCOC)C)C(=O)OC)C
COCCN1C(=O)C(=Cc2cc(n(c2C)c2cc(C)ccc2C)C)C(=C1C)C(=O)OC
InChI=1SC25H30N2O4c1158916(2)22(1215)2717(3)1320(18(27)4)142123(25(29)317)19(5)26(24(21)28)1011306h891214H1011H217H3b2114
METHYL(4Z)4((1(25DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL(4Z)4((1(25DIMETHYLPHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)1(2METHOXYETHYL)2METHYL5OXOPYRROLE3CARBOXYLATE
METHYL4((1(25DIMETHYLPHENYL)25DIMETHYL1HPYRROL3YL)METHYLENE)1(2METHOXYETHYL)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03270012
ZINC000004688412
ZINC04688412
ZINC4688412
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.