Vitas-M small molecule compound
methyl (4Z)-2-methyl-1-(3-methylphenyl)-4-(2-nitrobenzylidene)-5-oxo-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK161663
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])c1cccc(c1)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 C21H18N2O5 MW 378.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O5/c1-13-7-6-9-16(11-13)22-14(2)19(21(25)28-3)17(20(22)24)12-15-8-4-5-10-18(15)23(26)27/h4-12H,1-3H3/b17-12-InChIKey
QGGRXJDSCCOSIX-ATVHPVEESA-NSynonyms
CC1=CC(=CC=C1)N2C(=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))c1cccc(c1)C
InChI=1SC21H18N2O5c11376916(1113)2214(2)19(21(25)283)17(20(22)24)12158451018(15)23(26)27h412H13H3b1712
METHYL(4Z)2METHYL1(3METHYLPHENYL)4((2NITROPHENYL)METHYLIDENE)5OXOPYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL1(3METHYLPHENYL)4(2NITROBENZYLIDENE)5OXO45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD02216616
ZINC000001103981
ZINC01103981
ZINC1103981
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