Vitas-M small molecule compound
4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl 4-(1,3-dioxo-5-phenyloctahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK290239
SMILES ClCCC(C(=O)c1ccc(cc1)F)OC(=O)c1ccc(cc1)N1C(=O)C2C(C1=O)CC(CC2)c1ccccc1
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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 C31H27ClFNO5 MW 548.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27ClFNO5/c32-17-16-27(28(35)20-6-11-23(33)12-7-20)39-31(38)21-8-13-24(14-9-21)34-29(36)25-15-10-22(18-26(25)30(34)37)19-4-2-1-3-5-19/h1-9,11-14,22,25-27H,10,15-18H2InChIKey
QPLKZPTUMFSLFP-UHFFFAOYSA-NSynonyms
(4chloro1(4fluorophenyl)1oxobutan2yl)4(13dioxo5phenyl3a45677ahexahydroisoindol2yl)benzoate
4chloro1(4fluorophenyl)1oxobutan2yl4(13dioxo5phenyloctahydro2Hisoindol2yl)benzoate
C1CC2C(CC1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=C(C=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F
InChI=1SC31H27ClFNO5c32171627(28(35)2061123(33)12720)3931(38)2181324(14921)3429(36)25151022(1826(25)30(34)37)194213519h191114222527H101518H2
MFCD04041713
ZINC000102097136
ZINC000239175762
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