Vitas-M small molecule compound

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

Catalog ID
STK067117
SMILES COCCN1C(=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 C17H18N2O6 MW 346.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N2O6/c1-11-15(17(21)25-3)14(16(20)18(11)8-9-24-2)10-12-4-6-13(7-5-12)19(22)23/h4-7,10H,8-9H2,1-3H3/b14-10-
InChIKey
QLPPWOLWVBFCPN-UVTDQMKNSA-N
Synonyms

CC1=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)N1CCOC)C(=O)OC
COCCN1C(=O)C(=Cc2ccc(cc2)(N+)(=O)(O))C(=C1C)C(=O)OC
InChI=1SC17H18N2O6c11115(17(21)253)14(16(20)18(11)89242)10124613(7512)19(22)23h4710H89H213H3b1410
METHYL(4Z)1(2METHOXYETHYL)2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1(2METHOXYETHYL)2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03136848
STK067117
ZINC000002998429
ZINC02998429
ZINC2998429

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Available files

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