Vitas-M small molecule compound
N-(3-chloro-4-methylphenyl)-N-[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)methyl]-2,2,2-trifluoroacetamide
Catalog ID
STK253400
SMILES O=C1N(CN(C(=O)C(F)(F)F)c2ccc(c(c2)Cl)C)C(=O)C2C1C1C=CC2C2C1C2
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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 C21H18ClF3N2O3 MW 438.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18ClF3N2O3/c1-9-2-3-10(6-15(9)22)26(20(30)21(23,24)25)8-27-18(28)16-11-4-5-12(14-7-13(11)14)17(16)19(27)29/h2-6,11-14,16-17H,7-8H2,1H3InChIKey
BTNBWUOESNLRPD-UHFFFAOYSA-NSynonyms
CC1=C(C=C(C=C1)N(CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C(=O)C(F)(F)F)Cl
InChI=1SC21H18ClF3N2O3c192310(615(9)22)26(20(30)21(2324)25)82718(28)16114512(14713(11)14)17(16)19(27)29h2611141617H78H21H3
MFCD03835828
N(3chloro4methylphenyl)N((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)methyl)222trifluoroacetamide
ZINC000239025553
ZINC000239025556
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Check stock on Vitas-MAvailable files
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