Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-methoxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407445
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)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 C27H34BrNO7S MW 596.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34BrNO7S/c1-7-35-19-13-16(12-17(28)25(19)33-5)22-21(27(32)36-9-10-37-8-2)15(4)29-18-11-14(3)20(26(31)34-6)24(30)23(18)22/h12-14,20,22,29H,7-11H2,1-6H3InChIKey
BTFJKAMLACKNDK-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(3bromo5ethoxy4methoxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(3bromo5ethoxy4methoxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C)Br)OC
InChI=1SC27H34BrNO7Sc1735191316(1217(28)25(19)335)2221(27(32)369103782)15(4)29181114(3)20(26(31)346)24(30)23(18)22h1214202229H711H216H3
MFCD04057094
ZINC000097939986
ZINC000169704022
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