Vitas-M small molecule compound
4-methylbenzyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406350
SMILES O=C1NC(=C(C(C1)c1ccccc1[N+](=O)[O-])C(=O)OCc1ccc(cc1)C)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 C21H20N2O5 MW 380.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5/c1-13-7-9-15(10-8-13)12-28-21(25)20-14(2)22-19(24)11-17(20)16-5-3-4-6-18(16)23(26)27/h3-10,17H,11-12H2,1-2H3,(H,22,24)InChIKey
QCYNOMAFSVKENZ-UHFFFAOYSA-NSynonyms
(4METHYLPHENYL)METHYL2METHYL4(2NITROPHENYL)6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
(4methylphenyl)methyl6methyl4(2nitrophenyl)2oxo34dihydro1Hpyridine5carboxylate
4methylbenzyl2methyl4(2nitrophenyl)6oxo1456tetrahydropyridine3carboxylate
CC1=CC=C(C=C1)COC(=O)C2=C(NC(=O)CC2C3=CC=CC=C3(N+)(=O)(O))C
InChI=1SC21H20N2O5c1137915(10813)122821(25)2014(2)2219(24)1117(20)16534618(16)23(26)27h31017H1112H212H3(H2224)
MFCD06759532
O=C1NC(=C(C(C1)c1ccccc1(N+)(=O)(O))C(=O)OCc1ccc(cc1)C)C
ZINC000004913320
ZINC000004913329
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