Vitas-M small molecule compound
1,3-benzodioxol-5-ylmethyl 2-methyl-4-(4-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406874
SMILES O=C1NC(=C(C(C1)c1ccc(cc1)[N+](=O)[O-])C(=O)OCc1ccc2c(c1)OCO2)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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-12-20(21(25)28-10-13-2-7-17-18(8-13)30-11-29-17)16(9-19(24)22-12)14-3-5-15(6-4-14)23(26)27/h2-8,16H,9-11H2,1H3,(H,22,24)InChIKey
OJXZMAFJLIPMEL-UHFFFAOYSA-NSynonyms
13benzodioxol5ylmethyl2methyl4(4nitrophenyl)6oxo1456tetrahydropyridine3carboxylate
13benzodioxol5ylmethyl6methyl4(4nitrophenyl)2oxo34dihydro1Hpyridine5carboxylate
2HBENZO(34D)13DIOXOLEN5YLMETHYL2METHYL4(4NITROPHENYL)6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
CC1=C(C(CC(=O)N1)C2=CC=C(C=C2)(N+)(=O)(O))C(=O)OCC3=CC4=C(C=C3)OCO4
InChI=1SC21H18N2O7c11220(21(25)281013271718(813)30112917)16(919(24)2212)143515(6414)23(26)27h2816H911H21H3(H2224)
MFCD07613420
O=C1NC(=C(C(C1)c1ccc(cc1)(N+)(=O)(O))C(=O)OCc1ccc2c(c1)OCO2)C
ZINC000017088428
ZINC000017088429
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