Vitas-M small molecule compound
cycloheptyl 4-(3-ethoxy-4-hydroxy-5-nitrophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK403145
SMILES CCOc1cc(cc(c1O)[N+](=O)[O-])C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCCC1
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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 C26H32N2O7 MW 484.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N2O7/c1-3-34-21-14-16(13-19(25(21)30)28(32)33)23-22(26(31)35-17-9-6-4-5-7-10-17)15(2)27-18-11-8-12-20(29)24(18)23/h13-14,17,23,27,30H,3-12H2,1-2H3InChIKey
MJYMBMQDCSELKW-UHFFFAOYSA-NSynonyms
CCOC1=CC(=CC(=C1O)(N+)(=O)(O))C2C3=C(CCCC3=O)NC(=C2C(=O)OC4CCCCCC4)C
CCOc1cc(cc(c1O)(N+)(=O)(O))C1C(=C(C)NC2=C1C(=O)CCC2)C(=O)OC1CCCCCC1
cycloheptyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
cycloheptyl4(3ethoxy4hydroxy5nitrophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
InChI=1SC26H32N2O7c1334211416(1319(25(21)30)28(32)33)2322(26(31)3517964571017)15(2)27181181220(29)24(18)23h131417232730H312H212H3
MFCD03371108
ZINC000095201979
ZINC000095201980
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