Vitas-M small molecule compound
3-cyclohexyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404696
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(s1)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 C25H31NO5S MW 457.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H31NO5S/c1-13-12-17-21(23(27)19(13)24(28)30-4)22(18-11-10-14(2)32-18)20(15(3)26-17)25(29)31-16-8-6-5-7-9-16/h10-11,13,16,19,22,26H,5-9,12H2,1-4H3InChIKey
WLIQMUJDCKXAOQ-UHFFFAOYSA-NSynonyms
3cyclohexyl6methyl27dimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocyclohexyl6Omethyl27dimethyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCC3)C4=CC=C(S4)C)C(=O)C1C(=O)OC
InChI=1SC25H31NO5Sc113121721(23(27)19(13)24(28)304)22(18111014(2)3218)20(15(3)2617)25(29)31168657916h10111316192226H5912H214H3
MFCD05025470
ZINC000004767115
ZINC000004767124
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