Vitas-M small molecule compound
cyclooctyl 2-methyl-4-(2-nitrophenyl)-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406340
SMILES O=C1NC(=C(C(C1)c1ccccc1[N+](=O)[O-])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 C21H26N2O5 MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N2O5/c1-14-20(21(25)28-15-9-5-3-2-4-6-10-15)17(13-19(24)22-14)16-11-7-8-12-18(16)23(26)27/h7-8,11-12,15,17H,2-6,9-10,13H2,1H3,(H,22,24)InChIKey
KEMISNIEEGTGIH-UHFFFAOYSA-NSynonyms
CC1=C(C(CC(=O)N1)C2=CC=CC=C2(N+)(=O)(O))C(=O)OC3CCCCCCC3
cyclooctyl2methyl4(2nitrophenyl)6oxo1456tetrahydropyridine3carboxylate
CYCLOOCTYL2METHYL4(2NITROPHENYL)6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
cyclooctyl6methyl4(2nitrophenyl)2oxo34dihydro1Hpyridine5carboxylate
InChI=1SC21H26N2O5c11420(21(25)28159532461015)17(1319(24)2214)1611781218(16)23(26)27h7811121517H2691013H21H3(H2224)
MFCD06759522
O=C1NC(=C(C(C1)c1ccccc1(N+)(=O)(O))C(=O)OC1CCCCCCC1)C
ZINC000004913238
ZINC000004913246
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