Vitas-M small molecule compound
4-chloro-1-(4-fluorophenyl)-1-oxobutan-2-yl 3-(1,3-dioxo-5-phenyloctahydro-2H-isoindol-2-yl)benzoate
Catalog ID
STK290248
SMILES ClCCC(C(=O)c1ccc(cc1)F)OC(=O)c1cccc(c1)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/c32-16-15-27(28(35)20-9-12-23(33)13-10-20)39-31(38)22-7-4-8-24(17-22)34-29(36)25-14-11-21(18-26(25)30(34)37)19-5-2-1-3-6-19/h1-10,12-13,17,21,25-27H,11,14-16,18H2InChIKey
SQLDJEWGBKYRDB-UHFFFAOYSA-NSynonyms
(4chloro1(4fluorophenyl)1oxobutan2yl)3(13dioxo5phenyl3a45677ahexahydroisoindol2yl)benzoate
3CHLORO1((4FLUOROPHENYL)CARBONYL)PROPYL3(13DIOXO5PHENYLOCTAHYDRO2HISOINDOL2YL)BENZOATE
4chloro1(4fluorophenyl)1oxobutan2yl3(13dioxo5phenyloctahydro2Hisoindol2yl)benzoate
C1CC2C(CC1C3=CC=CC=C3)C(=O)N(C2=O)C4=CC=CC(=C4)C(=O)OC(CCCl)C(=O)C5=CC=C(C=C5)F
InChI=1SC31H27ClFNO5c32161527(28(35)2091223(33)131020)3931(38)2274824(1722)3429(36)25141121(1826(25)30(34)37)195213619h110121317212527H11141618H2
MFCD04042376
ZINC000102099005
ZINC000239412396
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