Vitas-M small molecule compound
4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl 6-bromo-2-[4-(1,3-dioxooctahydro-2H-4,7-methanoisoindol-2-yl)phenyl]quinoline-4-carboxylate
Catalog ID
STK286870
SMILES ClCCC(C(=O)c1ccc(cc1)F)OC(=O)c1cc(nc2c1cc(Br)cc2)c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2CC1
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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 C35H27BrClFN2O5 MW 689.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27BrClFN2O5/c36-22-7-12-27-25(16-22)26(35(44)45-29(13-14-37)32(41)19-3-8-23(38)9-4-19)17-28(39-27)18-5-10-24(11-6-18)40-33(42)30-20-1-2-21(15-20)31(30)34(40)43/h3-12,16-17,20-21,29-31H,1-2,13-15H2InChIKey
SBHKIKZONLPRAK-UHFFFAOYSA-NSynonyms
4chloro1(4fluorophenyl)1oxobutan2yl6bromo2(4(13dioxooctahydro2H47methanoisoindol2yl)phenyl)quinoline4carboxylate
C1CC2CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C5=NC6=C(C=C(C=C6)Br)C(=C5)C(=O)OC(CCCl)C(=O)C7=CC=C(C=C7)F
InChI=1SC35H27BrClFN2O5c36227122725(1622)26(35(44)4529(131437)32(41)193823(38)9419)1728(3927)1851024(11618)4033(42)30201221(1520)31(30)34(40)43h312161720212931H121315H2
MFCD03649028
ZINC000150621174
ZINC000239203268
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