Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-5-ethoxy-4-hydroxyphenyl)-7-(4-chlorophenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK077299
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
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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 C29H31BrClNO5S MW 620.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31BrClNO5S/c1-4-36-24-15-19(12-21(30)28(24)34)26-25(29(35)37-10-11-38-5-2)16(3)32-22-13-18(14-23(33)27(22)26)17-6-8-20(31)9-7-17/h6-9,12,15,18,26,32,34H,4-5,10-11,13-14H2,1-3H3InChIKey
FMTVNPGDULBHRC-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo5ethoxy4hydroxyphenyl)7(4chlorophenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCOC1=C(C(=CC(=C1)C2C3=C(CC(CC3=O)C4=CC=C(C=C4)Cl)NC(=C2C(=O)OCCSCC)C)Br)O
CCSCCOC(=O)C1=C(C)NC2=C(C1c1cc(Br)c(c(c1)OCC)O)C(=O)CC(C2)c1ccc(cc1)Cl
InChI=1SC29H31BrClNO5Sc1436241519(1221(30)28(24)34)2625(29(35)3710113852)16(3)32221318(1423(33)27(22)26)176820(31)9717h69121518263234H4510111314H213H3
MFCD01824395
STK077299
ZINC000100557465
ZINC000100557469
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