Vitas-M small molecule compound
2-[4-chloro-3-(trifluoromethyl)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK282960
SMILES O=C1N(c2ccc(c(c2)C(F)(F)F)Cl)C(=O)C2C1C1C=CC2C1
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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 C16H11ClF3NO2 MW 341.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H11ClF3NO2/c17-11-4-3-9(6-10(11)16(18,19)20)21-14(22)12-7-1-2-8(5-7)13(12)15(21)23/h1-4,6-8,12-13H,5H2InChIKey
LUNLAEPSLKXIJR-UHFFFAOYSA-NSynonyms
2(4chloro3(trifluoromethyl)phenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC(=C(C=C4)Cl)C(F)(F)F
InChI=1SC16H11ClF3NO2c1711439(610(11)16(1819)20)2114(22)127128(57)13(12)15(21)23h14681213H5H2
MFCD01067478
ZINC000100174678
ZINC000239339185
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