Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406339
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC(=O)CC1c1ccccc1[N+](=O)[O-]
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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 C21H20N2O6 MW 396.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6/c1-13-20(21(25)29-12-14-7-9-15(28-2)10-8-14)17(11-19(24)22-13)16-5-3-4-6-18(16)23(26)27/h3-10,17H,11-12H2,1-2H3,(H,22,24)InChIKey
WRRZENSBGBXBTF-UHFFFAOYSA-NSynonyms
(4METHOXYPHENYL)METHYL2METHYL4(2NITROPHENYL)6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
(4methoxyphenyl)methyl6methyl4(2nitrophenyl)2oxo34dihydro1Hpyridine5carboxylate
4methoxybenzyl2methyl4(2nitrophenyl)6oxo1456tetrahydropyridine3carboxylate
CC1=C(C(CC(=O)N1)C2=CC=CC=C2(N+)(=O)(O))C(=O)OCC3=CC=C(C=C3)OC
COc1ccc(cc1)COC(=O)C1=C(C)NC(=O)CC1c1ccccc1(N+)(=O)(O)
InChI=1SC21H20N2O6c11320(21(25)2912147915(282)10814)17(1119(24)2213)16534618(16)23(26)27h31017H1112H212H3(H2224)
MFCD06759521
ZINC000004913228
ZINC000004913234
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