Vitas-M small molecule compound
cyclooctyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406987
SMILES O=C1NC(=C(C(C1)c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)OC1CCCCCCC1)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 C21H25ClN2O5 MW 420.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25ClN2O5/c1-13-20(21(26)29-15-7-5-3-2-4-6-8-15)16(12-19(25)23-13)14-9-10-17(22)18(11-14)24(27)28/h9-11,15-16H,2-8,12H2,1H3,(H,23,25)InChIKey
UNQUCZJKQCBCSR-UHFFFAOYSA-NSynonyms
CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)OC3CCCCCCC3
cyclooctyl4(4chloro3nitrophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
CYCLOOCTYL4(4CHLORO3NITROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
cyclooctyl4(4chloro3nitrophenyl)6methyl2oxo34dihydro1Hpyridine5carboxylate
InChI=1SC21H25ClN2O5c11320(21(26)2915753246815)16(1219(25)2313)1491017(22)18(1114)24(27)28h9111516H2812H21H3(H2325)
MFCD07613449
O=C1NC(=C(C(C1)c1ccc(c(c1)(N+)(=O)(O))Cl)C(=O)OC1CCCCCCC1)C
ZINC000017092470
ZINC000017092471
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