Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 2,7-dimethyl-5-oxo-4-[4-(propan-2-yl)phenyl]-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407506
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)C(C)C)C(=O)C(C(C2)C)C(=O)OC
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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 C27H35NO5S MW 485.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H35NO5S/c1-7-34-13-12-33-27(31)22-17(5)28-20-14-16(4)21(26(30)32-6)25(29)24(20)23(22)19-10-8-18(9-11-19)15(2)3/h8-11,15-16,21,23,28H,7,12-14H2,1-6H3InChIKey
RLEJERCRTRWKFV-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl27dimethyl5oxo4(4(propan2yl)phenyl)145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(4propan2ylphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)C(C)C)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC27H35NO5Sc173413123327(31)2217(5)28201416(4)21(26(30)326)25(29)24(20)23(22)1910818(91119)15(2)3h8111516212328H71214H216H3
MFCD04057155
ZINC000020190515
ZINC000034695159
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