Vitas-M small molecule compound

(3aR,7aS)-2-[2-(difluoromethoxy)-4-methylphenyl]hexahydro-1H-isoindole-1,3(2H)-dione

Catalog ID
STK311145
SMILES FC(Oc1cc(C)ccc1N1C(=O)[C@@H]2[C@H](C1=O)CCCC2)F

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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 C16H17F2NO3 MW 309.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H17F2NO3/c1-9-6-7-12(13(8-9)22-16(17)18)19-14(20)10-4-2-3-5-11(10)15(19)21/h6-8,10-11,16H,2-5H2,1H3/t10-,11+
InChIKey
GSRKZIVQKHMABK-PHIMTYICSA-N
Synonyms
1052576-92-7
(3aR7aS)2(2(difluoromethoxy)4methylphenyl)hexahydro1Hisoindole13(2H)dione
(3aS7aR)2(2(difluoromethoxy)4methylphenyl)3a45677ahexahydroisoindole13dione
1052576927
CC1=CC(=C(C=C1)N2C(=O)C3CCCCC3C2=O)OC(F)F
FC(Oc1cc(C)ccc1N1C(=O)(C@@H)2(C@H)(C1=O)CCCC2)F
InChI=1SC16H17F2NO3c196712(13(89)2216(17)18)1914(20)10423511(10)15(19)21h68101116H25H21H3t1011+
MFCD04059236
ZINC000006787929
ZINC06787929
ZINC6787929

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Available files

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