Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407472
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(OC)c(cc1Br)OC)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 C26H32BrNO7S MW 582.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32BrNO7S/c1-7-36-9-8-35-26(31)21-14(3)28-17-10-13(2)20(25(30)34-6)24(29)23(17)22(21)15-11-18(32-4)19(33-5)12-16(15)27/h11-13,20,22,28H,7-10H2,1-6H3InChIKey
COXGWAZPXVSFKV-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(2bromo45dimethoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(2bromo45dimethoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3Br)OC)OC)C(=O)C(C(C2)C)C(=O)OC)C
InChI=1SC26H32BrNO7Sc1736983526(31)2114(3)28171013(2)20(25(30)346)24(29)23(17)22(21)151118(324)19(335)1216(15)27h1113202228H710H216H3
MFCD04057121
ZINC000097939665
ZINC000229916696
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