Vitas-M small molecule compound
methyl (4Z)-1-cyclohexyl-2-methyl-4-(4-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK159956
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)[N+](=O)[O-])C1CCCCC1
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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 C20H22N2O5 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22N2O5/c1-13-18(20(24)27-2)17(12-14-8-10-16(11-9-14)22(25)26)19(23)21(13)15-6-4-3-5-7-15/h8-12,15H,3-7H2,1-2H3/b17-12-InChIKey
FMKNQNLLZHTTLK-ATVHPVEESA-NSynonyms
(Z)methyl1cyclohexyl2methyl4(4nitrobenzylidene)5oxo45dihydro1Hpyrrole3carboxylate
CC1=C(C(=CC2=CC=C(C=C2)(N+)(=O)(O))C(=O)N1C3CCCCC3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)(N+)(=O)(O))C1CCCCC1
InChI=1SC20H22N2O5c11318(20(24)272)17(121481016(11914)22(25)26)19(23)21(13)156435715h81215H37H212H3b1712
METHYL(4Z)1CYCLOHEXYL2METHYL4((4NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)1CYCLOHEXYL2METHYL4(4NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL1CYCLOHEXYL5METHYL3((4NITROPHENYL)METHYLENE)2OXOAZOLINE4CARBOXYLATE
MFCD01462134
ZINC000000842971
ZINC00842971
ZINC842971
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