Vitas-M small molecule compound
methyl (4Z)-2-methyl-1-(4-methylbenzyl)-4-(3-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK160058
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1cccc(c1)[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/c1-14-7-9-16(10-8-14)13-23-15(2)20(22(26)29-3)19(21(23)25)12-17-5-4-6-18(11-17)24(27)28/h4-12H,13H2,1-3H3/b19-12-InChIKey
LUNJBLOQCQYZFS-UNOMPAQXSA-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=Cc1cccc(c1)(N+)(=O)(O))Cc1ccc(cc1)C
InChI=1SC22H20N2O5c1147916(10814)132315(2)20(22(26)293)19(21(23)25)121754618(1117)24(27)28h412H13H213H3b1912
METHYL(4Z)2METHYL1((4METHYLPHENYL)METHYL)4((3NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL1(4METHYLBENZYL)4(3NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
METHYL4(3NITROBENZYLIDENE)2METHYL1(4METHYLBENZYL)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD01964239
ZINC000000650396
ZINC00650396
ZINC650396
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