Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-[4-(benzyloxy)phenyl]-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407441
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(cc1)OCc1ccccc1)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 C31H35NO6S MW 549.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H35NO6S/c1-5-39-16-15-37-31(35)26-20(3)32-24-17-19(2)25(30(34)36-4)29(33)28(24)27(26)22-11-13-23(14-12-22)38-18-21-9-7-6-8-10-21/h6-14,19,25,27,32H,5,15-18H2,1-4H3InChIKey
CDVSWBGQMNVOKN-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(4(benzyloxy)phenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl27dimethyl5oxo4(4phenylmethoxyphenyl)4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC=C(C=C3)OCC4=CC=CC=C4)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC31H35NO6Sc153916153731(35)2620(3)32241719(2)25(30(34)364)29(33)28(24)27(26)22111323(141222)38182197681021h61419252732H51518H214H3
MFCD04057090
ZINC000097939777
ZINC000229933511
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