Vitas-M small molecule compound
methyl (4Z)-2-methyl-4-(2-nitrobenzylidene)-5-oxo-1-(1-phenylethyl)-4,5-dihydro-1H-pyrrole-3-carboxylate
Catalog ID
STK168478
SMILES COC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccccc1[N+](=O)[O-])C(c1ccccc1)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(16-9-5-4-6-10-16)23-15(2)20(22(26)29-3)18(21(23)25)13-17-11-7-8-12-19(17)24(27)28/h4-14H,1-3H3/b18-13-InChIKey
VEHSEFYFOMCICT-AQTBWJFISA-NSynonyms
CC1=C(C(=CC2=CC=CC=C2(N+)(=O)(O))C(=O)N1C(C)C3=CC=CC=C3)C(=O)OC
COC(=O)C1=C(C)N(C(=O)C1=Cc1ccccc1(N+)(=O)(O))C(c1ccccc1)C
InChI=1SC22H20N2O5c114(1695461016)2315(2)20(22(26)293)18(21(23)25)131711781219(17)24(27)28h414H13H3b1813
METHYL(4Z)2METHYL4((2NITROPHENYL)METHYLIDENE)5OXO1(1PHENYLETHYL)PYRROLE3CARBOXYLATE
METHYL(4Z)2METHYL4(2NITROBENZYLIDENE)5OXO1(1PHENYLETHYL)45DIHYDRO1HPYRROLE3CARBOXYLATE
MFCD03712003
ZINC000001163229
ZINC000001163231
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