Vitas-M small molecule compound
3-[2-(ethylsulfanyl)ethyl] 6-methyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-2,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3,6-dicarboxylate
Catalog ID
STK407489
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)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/c1-6-34-18-12-15(11-16(27)23(18)29)21-20(26(32)35-8-9-36-7-2)14(4)28-17-10-13(3)19(25(31)33-5)24(30)22(17)21/h11-13,19,21,28-29H,6-10H2,1-5H3InChIKey
YDVYJVMSOKSNOX-UHFFFAOYSA-NSynonyms
3(2(ethylsulfanyl)ethyl)6methyl4(3bromo5ethoxy4hydroxyphenyl)27dimethyl5oxo145678hexahydroquinoline36dicarboxylate
3O(2ethylsulfanylethyl)6Omethyl4(3bromo5ethoxy4hydroxyphenyl)27dimethyl5oxo4678tetrahydro1Hquinoline36dicarboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(C(C3=O)C(=O)OC)C)NC(=C2C(=O)OCCSCC)C)Br)O
InChI=1SC26H32BrNO7Sc1634181215(1116(27)23(18)29)2120(26(32)35893672)14(4)28171013(3)19(25(31)335)24(30)22(17)21h111319212829H610H215H3
MFCD04057138
ZINC000097939720
ZINC000169692377
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