Vitas-M small molecule compound
methyl (4Z)-2-methyl-1-(4-methylbenzyl)-4-(2-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160057
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])Cc1ccc(cc1)C
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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 C22H20N2O5 MW 392.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O5/c1-14-8-10-16(11-9-14)13-23-15(2)20(22(26)29-3)18(21(23)25)12-17-6-4-5-7-19(17)24(27)28/h4-12H,13H2,1-3H3/b18-12-InChIKey
ZJKGNMJEKVTERL-PDGQHHTCSA-NSynonyms
CC1=CC=C(C=C1)CN2C(=C(C(=CC3=CC=CC=C3(N+)(=O)(O))C2=O)C(=O)OC)C
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1(N+)(=O)(O))Cc1ccc(cc1)C
InChI=1SC22H20N2O5c11481016(11914)132315(2)20(22(26)293)18(21(23)25)1217645719(17)24(27)28h412H13H213H3b1812
METHYL(4Z)2METHYL1((4METHYLPHENYL)METHYL)4((2NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL1(4METHYLBENZYL)4(2NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL4(2NITROBENZYLIDENE)2METHYL1(4METHYLBENZYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01964238
ZINC000000685980
ZINC00685980
ZINC685980
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