Vitas-M small molecule compound

methyl 2-methyl-5-oxo-1-[4-(propan-2-yl)phenyl]-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK795147
SMILES COC(=O)C1=C(C)N(C(=O)C1)c1ccc(cc1)C(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 C16H19NO3 MW 273.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H19NO3/c1-10(2)12-5-7-13(8-6-12)17-11(3)14(9-15(17)18)16(19)20-4/h5-8,10H,9H2,1-4H3
InChIKey
IEMILDRDOSOFOB-UHFFFAOYSA-N
Synonyms

CC1=C(CC(=O)N1C2=CC=C(C=C2)C(C)C)C(=O)OC
InChI=1SC16H19NO3c110(2)125713(8612)1711(3)14(915(17)18)16(19)204h5810H9H214H3
METHYL2METHYL1(4(METHYLETHYL)PHENYL)5OXO2PYRROLINE3CARBOXYLATE
methyl2methyl5oxo1(4(propan2yl)phenyl)45dihydro1Hpyrrole3carboxylate
METHYL5METHYL2OXO1(4PROPAN2YLPHENYL)3HPYRROLE4CARBOXYLATE
MFCD02110385
ZINC000000127592
ZINC00127592
ZINC127592

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.