Vitas-M small molecule compound
3-cycloheptyl 6-methyl 2,7-dimethyl-4-(5-methylthiophen-2-yl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK404442
SMILES COC(=O)C1C(C)CC2=C(C1=O)C(c1ccc(s1)C)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 C26H33NO5S MW 471.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H33NO5S/c1-14-13-18-22(24(28)20(14)25(29)31-4)23(19-12-11-15(2)33-19)21(16(3)27-18)26(30)32-17-9-7-5-6-8-10-17/h11-12,14,17,20,23,27H,5-10,13H2,1-4H3InChIKey
RZTXYKIQRPAKGN-UHFFFAOYSA-NSynonyms
3cycloheptyl6methyl27dimethyl4(5methylthiophen2yl)5oxo145678hexahydroquinoline36dicarboxylate
3Ocycloheptyl6Omethyl27dimethyl4(5methylthiophen2yl)5oxo4678tetrahydro1Hquinoline36dicarboxylate
CC1CC2=C(C(C(=C(N2)C)C(=O)OC3CCCCCC3)C4=CC=C(S4)C)C(=O)C1C(=O)OC
InChI=1SC26H33NO5Sc114131822(24(28)20(14)25(29)314)23(19121115(2)3319)21(16(3)2718)26(30)3217975681017h11121417202327H51013H214H3
MFCD04226217
ZINC000004766235
ZINC000004766241
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