Vitas-M small molecule compound

ethyl 2-methyl-1-(3-nitrophenyl)-4-[(3-nitrophenyl)amino]-5-oxo-2,5-dihydro-1H-pyrrole-2-carboxylate

Catalog ID
STK760741
SMILES CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)[N+](=O)[O-])Nc1cccc(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 C20H18N4O7 MW 426.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O7/c1-3-31-19(26)20(2)12-17(21-13-6-4-8-15(10-13)23(27)28)18(25)22(20)14-7-5-9-16(11-14)24(29)30/h4-12,21H,3H2,1-2H3
InChIKey
NDEOZGRJFCLALO-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1(C)C=C(C(=O)N1c1cccc(c1)(N+)(=O)(O))Nc1cccc(c1)(N+)(=O)(O)
CCOC(=O)C1(C=C(C(=O)N1C2=CC(=CC=C2)(N+)(=O)(O))NC3=CC(=CC=C3)(N+)(=O)(O))C
ethyl2methyl1(3nitrophenyl)4((3nitrophenyl)amino)5oxo25dihydro1Hpyrrole2carboxylate
ETHYL2METHYL4(3NITROANILINO)1(3NITROPHENYL)5OXOPYRROLE2CARBOXYLATE
InChI=1SC20H18N4O7c133119(26)20(2)1217(211364815(1013)23(27)28)18(25)22(20)1475916(1114)24(29)30h41221H3H212H3
MFCD01819556
ZINC000100080677
ZINC000100080680

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Available files

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