Vitas-M small molecule compound

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

Catalog ID
STK404710
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(cc1)Cl)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 C27H32ClNO5 MW 486.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H32ClNO5/c1-15-14-20-24(25(30)21(15)26(31)33-3)23(17-10-12-18(28)13-11-17)22(16(2)29-20)27(32)34-19-8-6-4-5-7-9-19/h10-13,15,19,21,23,29H,4-9,14H2,1-3H3
InChIKey
QTXSMCZLZQMZSZ-UHFFFAOYSA-N
Synonyms

3cycloheptyl6methyl4(4chlorophenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl4(4chlorophenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC=C(C=C4)Cl)C(=O)C1C(=O)OC
InChI=1SC27H32ClNO5c115142024(25(30)21(15)26(31)333)23(17101218(28)131117)22(16(2)2920)27(32)341986457919h10131519212329H4914H213H3
MFCD06193933
ZINC000001460876
ZINC000239402550

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.