Vitas-M small molecule compound
3-cyclohexyl 6-methyl 2,7-dimethyl-4-(4-methyl-3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404642
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)[N+](=O)[O-])C)C(=C(N2)C)C(=O)OC1CCCCC1
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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 C27H32N2O7 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7/c1-14-10-11-17(13-20(14)29(33)34)23-22(27(32)36-18-8-6-5-7-9-18)16(3)28-19-12-15(2)21(26(31)35-4)25(30)24(19)23/h10-11,13,15,18,21,23,28H,5-9,12H2,1-4H3InChIKey
ZGSYPFZGFOECTE-UHFFFAOYSA-NSynonyms
1005163-94-91005163949
3cyclohexyl6methyl27dimethyl4(4methyl3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl27dimethyl4(4methyl3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC(=C(C=C4)C)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(c(c1)(N+)(=O)(O))C)C(=C(N2)C)C(=O)OC1CCCCC1
InChI=1SC27H32N2O7c114101117(1320(14)29(33)34)2322(27(32)36188657918)16(3)28191215(2)21(26(31)354)25(30)24(19)23h1011131518212328H5912H214H3
MFCD05031571
ZINC000004762446
ZINC000004762456
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