Vitas-M small molecule compound

3-cycloheptyl 6-methyl 2,7-dimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate

Catalog ID
STK404433
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)[N+](=O)[O-])C(=C(N2)C)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 C27H32N2O7 MW 496.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32N2O7/c1-15-13-20-24(25(30)21(15)26(31)35-3)23(17-9-8-10-18(14-17)29(33)34)22(16(2)28-20)27(32)36-19-11-6-4-5-7-12-19/h8-10,14-15,19,21,23,28H,4-7,11-13H2,1-3H3
InChIKey
XPNVYAOLPOXRMS-UHFFFAOYSA-N
Synonyms

3cycloheptyl6methyl27dimethyl4(3nitrophenyl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl27dimethyl4(3nitrophenyl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC(=CC=C4)(N+)(=O)(O))C(=O)C1C(=O)OC
COC(=O)C1C(C)CC2=C(C1=O)C(c1cccc(c1)(N+)(=O)(O))C(=C(N2)C)C(=O)OC1CCCCCC1
InChI=1SC27H32N2O7c115132024(25(30)21(15)26(31)353)23(17981018(1417)29(33)34)22(16(2)2820)27(32)36191164571219h810141519212328H471113H213H3
MFCD04226209
ZINC000001460068
ZINC000239433389

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Available files

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