Vitas-M small molecule compound
3-cyclohexyl 6-methyl 2,7-dimethyl-4-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404976
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCCC1)c1ccccc1[N+](=O)[O-]
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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 C26H30N2O7 MW 482.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H30N2O7/c1-14-13-18-23(24(29)20(14)25(30)34-3)22(17-11-7-8-12-19(17)28(32)33)21(15(2)27-18)26(31)35-16-9-5-4-6-10-16/h7-8,11-12,14,16,20,22,27H,4-6,9-10,13H2,1-3H3InChIKey
AHIZSWADHYMTBD-UHFFFAOYSA-NSynonyms
3cyclohexyl6methyl27dimethyl4(2nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl27dimethyl4(2nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC=CC=C4(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(C(=C(N2)C)C(=O)OC1CCCCC1)c1ccccc1(N+)(=O)(O)
InChI=1SC26H30N2O7c114131823(24(29)20(14)25(30)343)22(1711781219(17)28(32)33)21(15(2)2718)26(31)351695461016h7811121416202227H4691013H213H3
MFCD05998849
ZINC000012319953
ZINC000101925761
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