Vitas-M small molecule compound
N-(3-chloro-2-methylphenyl)-N-[(1,3-dioxooctahydro-4,6-ethenocyclopropa[f]isoindol-2(1H)-yl)methyl]-2,2,2-trifluoroacetamide
Catalog ID
STK258347
SMILES O=C(C(F)(F)F)N(c1cccc(c1C)Cl)CN1C(=O)C2C(C1=O)C1C=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/c1-9-14(22)3-2-4-15(9)26(20(30)21(23,24)25)8-27-18(28)16-10-5-6-11(13-7-12(10)13)17(16)19(27)29/h2-6,10-13,16-17H,7-8H2,1H3InChIKey
UOFDCAXNIFHUFR-UHFFFAOYSA-NSynonyms
CC1=C(C=CC=C1Cl)N(CN2C(=O)C3C4C=CC(C3C2=O)C5C4C5)C(=O)C(F)(F)F
InChI=1SC21H18ClF3N2O3c1914(22)32415(9)26(20(30)21(2324)25)82718(28)16105611(13712(10)13)17(16)19(27)29h2610131617H78H21H3
MFCD03835837
N(3chloro2methylphenyl)N((13dioxooctahydro46ethenocyclopropa(f)isoindol2(1H)yl)methyl)222trifluoroacetamide
ZINC000245312345
ZINC000245312348
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