Vitas-M small molecule compound
2-[4-chloro-3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione
Catalog ID
STK280875
SMILES O=C1N(c2ccc(c(c2)C(F)(F)F)Cl)C(=O)C2C1C1CCC2C=C1
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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 C17H13ClF3NO2 MW 355.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H13ClF3NO2/c18-12-6-5-10(7-11(12)17(19,20)21)22-15(23)13-8-1-2-9(4-3-8)14(13)16(22)24/h1-2,5-9,13-14H,3-4H2InChIKey
CPVAUVXVNODHPE-UHFFFAOYSA-NSynonyms
2(4chloro3(trifluoromethyl)phenyl)3a477atetrahydro1H47ethanoisoindole13(2H)dione
C1CC2C=CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI=1SC17H13ClF3NO2c18126510(711(12)17(1920)21)2215(23)138129(438)14(13)16(22)24h12591314H34H2
MFCD01067482
ZINC000100174685
ZINC000101357373
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