Vitas-M small molecule compound

methyl (4Z)-1-(3-methoxypropyl)-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate

Catalog ID
STK160285
SMILES COCCCN1C(=O)/C(=C\c2ccc(cc2)[N+](=O)[O-])/C(=C1C)C(=O)OC

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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 C18H20N2O6 MW 360.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N2O6/c1-12-16(18(22)26-3)15(17(21)19(12)9-4-10-25-2)11-13-5-7-14(8-6-13)20(23)24/h5-8,11H,4,9-10H2,1-3H3/b15-11-
InChIKey
SMWMJPAKDYCBNS-PTNGSMBKSA-N
Synonyms

CC1=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)N1CCCOC)C(=O)OC
COCCCN1C(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))C(=C1C)C(=O)OC
InChI=1SC18H20N2O6c11216(18(22)263)15(17(21)19(12)9410252)11135714(8613)20(23)24h5811H4910H213H3b1511
METHYL(4Z)1(3METHOXYPROPYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(3METHOXYPROPYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03711508
ZINC000003464151
ZINC03464151
ZINC3464151

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Available files

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