Vitas-M small molecule compound
4-methoxybenzyl 2-methyl-4-(3-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406720
SMILES COc1ccc(cc1)COC(=O)C1=C(C)NC(=O)CC1c1cccc(c1)[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)29-12-14-6-8-17(28-2)9-7-14)18(11-19(24)22-13)15-4-3-5-16(10-15)23(26)27/h3-10,18H,11-12H2,1-2H3,(H,22,24)InChIKey
UAQFXJSGDUCXKU-UHFFFAOYSA-NSynonyms
(4METHOXYPHENYL)METHYL2METHYL4(3NITROPHENYL)6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
(4methoxyphenyl)methyl6methyl4(3nitrophenyl)2oxo34dihydro1Hpyridine5carboxylate
4methoxybenzyl2methyl4(3nitrophenyl)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)CC1c1cccc(c1)(N+)(=O)(O)
InChI=1SC21H20N2O6c11320(21(25)2912146817(282)9714)18(1119(24)2213)1543516(1015)23(26)27h31018H1112H212H3(H2224)
MFCD07613309
ZINC000004916737
ZINC000004916746
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