Vitas-M small molecule compound
methyl (4Z)-4-{[2,5-dimethyl-1-(4-methylphenyl)-1H-pyrrol-3-yl]methylidene}-2-methyl-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK326720
SMILES COC(=O)C1=C(C)NC(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)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 C21H22N2O3 MW 350.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O3/c1-12-6-8-17(9-7-12)23-13(2)10-16(15(23)4)11-18-19(21(25)26-5)14(3)22-20(18)24/h6-11H,1-5H3,(H,22,24)/b18-11-InChIKey
XIAIRMJFNHYTJU-WQRHYEAKSA-NSynonyms
CC1=CC=C(C=C1)N2C(=CC(=C2C)C=C3C(=C(NC3=O)C)C(=O)OC)C
COC(=O)C1=C(C)NC(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)C)C
InChI=1SC21H22N2O3c1126817(9712)2313(2)1016(15(23)4)111819(21(25)265)14(3)2220(18)24h611H15H3(H2224)b1811
METHYL(4Z)4((25DIMETHYL1(4METHYLPHENYL)1HPYRROL3YL)METHYLIDENE)2METHYL5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
methyl(4Z)4((25dimethyl1(4methylphenyl)pyrrol3yl)methylidene)2methyl5oxo1Hpyrrole3carboxylate
MFCD08726995
ZINC000018190247
ZINC18190247
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