Vitas-M small molecule compound
cyclohexylmethyl 4-(4-chloro-3-nitrophenyl)-2-methyl-6-oxo-1,4,5,6-tetrahydropyridine-3-carboxylate
Catalog ID
STK406975
SMILES O=C1NC(=C(C(C1)c1ccc(c(c1)[N+](=O)[O-])Cl)C(=O)OCC1CCCCC1)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 C20H23ClN2O5 MW 406.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23ClN2O5/c1-12-19(20(25)28-11-13-5-3-2-4-6-13)15(10-18(24)22-12)14-7-8-16(21)17(9-14)23(26)27/h7-9,13,15H,2-6,10-11H2,1H3,(H,22,24)InChIKey
WEXTWIDLXOUFBM-UHFFFAOYSA-NSynonyms
CC1=C(C(CC(=O)N1)C2=CC(=C(C=C2)Cl)(N+)(=O)(O))C(=O)OCC3CCCCC3
cyclohexylmethyl4(4chloro3nitrophenyl)2methyl6oxo1456tetrahydropyridine3carboxylate
CYCLOHEXYLMETHYL4(4CHLORO3NITROPHENYL)2METHYL6OXO145TRIHYDROPYRIDINE3CARBOXYLATE
cyclohexylmethyl4(4chloro3nitrophenyl)6methyl2oxo34dihydro1Hpyridine5carboxylate
InChI=1SC20H23ClN2O5c11219(20(25)2811135324613)15(1018(24)2212)147816(21)17(914)23(26)27h791315H261011H21H3(H2224)
MFCD07613440
ZINC000017087526
ZINC000017087527
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