Vitas-M small molecule compound
methyl (5E)-2-methyl-5-(4-methylbenzylidene)-4-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159947
SMILES COC(=O)C1=C(C)N/C(=C/c2ccc(cc2)C)/C1=O
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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 C15H15NO3 MW 257.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H15NO3/c1-9-4-6-11(7-5-9)8-12-14(17)13(10(2)16-12)15(18)19-3/h4-8,16H,1-3H3/b12-8+InChIKey
QBYJFVXTBVDGMC-XYOKQWHBSA-NSynonyms
(E)methyl2methyl5(4methylbenzylidene)4oxo45dihydro1Hpyrrole3carboxylate
CC1=CC=C(C=C1)C=C2C(=O)C(=C(N2)C)C(=O)OC
COC(=O)C1=C(C)NC(=Cc2ccc(cc2)C)C1=O
InChI=1SC15H15NO3c194611(759)81214(17)13(10(2)1612)15(18)193h4816H13H3b128+
METHYL(5E)2METHYL5((4METHYLPHENYL)METHYLIDENE)4OXO1HPYRROLE3CARBOXYLATE
METHYL(5E)2METHYL5(4METHYLBENZYLIDENE)4OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01893504
ZINC000017731846
ZINC17731846
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