Vitas-M small molecule compound
2-(ethylsulfanyl)ethyl 4-(3-bromo-4-fluorophenyl)-7-(2-methoxyphenyl)-2-methyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK082049
SMILES CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)c1ccccc1OC
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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 C28H29BrFNO4S MW 574.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H29BrFNO4S/c1-4-36-12-11-35-28(33)25-16(2)31-22-14-18(19-7-5-6-8-24(19)34-3)15-23(32)27(22)26(25)17-9-10-21(30)20(29)13-17/h5-10,13,18,26,31H,4,11-12,14-15H2,1-3H3InChIKey
HFTAZQJCRVVHSU-UHFFFAOYSA-NSynonyms
2(ethylsulfanyl)ethyl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo145678hexahydroquinoline3carboxylate
2ethylsulfanylethyl4(3bromo4fluorophenyl)7(2methoxyphenyl)2methyl5oxo4678tetrahydro1Hquinoline3carboxylate
CCSCCOC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Br)F)C(=O)CC(C2)c1ccccc1OC
CCSCCOC(=O)C1=C(NC2=C(C1C3=CC(=C(C=C3)F)Br)C(=O)CC(C2)C4=CC=CC=C4OC)C
InChI=1SC28H29BrFNO4Sc143612113528(33)2516(2)31221418(19756824(19)343)1523(32)27(22)26(25)1791021(30)20(29)1317h51013182631H411121415H213H3
MFCD03312529
STK082049
ZINC000002762124
ZINC000002762127
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