Vitas-M small molecule compound

2-(3-nitrophenyl)-2-oxoethyl 1-{[(4-methylphenyl)carbonyl]amino}-5-oxopyrrolidine-3-carboxylate

Catalog ID
STK290621
SMILES Cc1ccc(cc1)C(=O)NN1CC(CC1=O)C(=O)OCC(=O)c1cccc(c1)[N+](=O)[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 C21H19N3O7 MW 425.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N3O7/c1-13-5-7-14(8-6-13)20(27)22-23-11-16(10-19(23)26)21(28)31-12-18(25)15-3-2-4-17(9-15)24(29)30/h2-9,16H,10-12H2,1H3,(H,22,27)
InChIKey
FLLAULZYFGXMHN-UHFFFAOYSA-N
Synonyms

(2(3NITROPHENYL)2OXOETHYL)1((4METHYLBENZOYL)AMINO)5OXOPYRROLIDINE3CARBOXYLATE
2(3nitrophenyl)2oxoethyl1(((4methylphenyl)carbonyl)amino)5oxopyrrolidine3carboxylate
2(3NITROPHENYL)2OXOETHYL1((4METHYLPHENYL)CARBONYLAMINO)5OXOPYRROLIDINE3CARBOXYLATE
CC1=CC=C(C=C1)C(=O)NN2CC(CC2=O)C(=O)OCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
Cc1ccc(cc1)C(=O)NN1CC(CC1=O)C(=O)OCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H19N3O7c1135714(8613)20(27)22231116(1019(23)26)21(28)311218(25)1532417(915)24(29)30h2916H1012H21H3(H2227)
MFCD04042150
ZINC000008927562
ZINC000008927564

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Available files

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