Vitas-M small molecule compound
1-[4,4-dimethyl-2-(trichloromethyl)-2H-3,1-benzoxazin-1(4H)-yl]ethanone
Catalog ID
STL421264
SMILES CC(=O)N1c2ccccc2C(OC1C(Cl)(Cl)Cl)(C)C
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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 C13H14Cl3NO2 MW 322.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14Cl3NO2/c1-8(18)17-10-7-5-4-6-9(10)12(2,3)19-11(17)13(14,15)16/h4-7,11H,1-3H3InChIKey
OEFAUGUOGQAXKE-UHFFFAOYSA-NSynonyms
201946-01-21(44dimethyl2(trichloromethyl)2H31benzoxazin1(4H)yl)ethanone
1(44DIMETHYL2(TRICHLOROMETHYL)2H31BENZOXAZIN1YL)ETHANONE
1ACETYL44DIMETHYL2(TRICHLOROMETHYL)14DIHYDRO2H31BENZOXAZINE
201946012
CC(=O)N1C(OC(C2=CC=CC=C21)(C)C)C(Cl)(Cl)Cl
ETHANONE1(2TRICHLOROMETHYL)44DIMETHYL14DIHYDRO2H13BENZOXAZIN1YL)
InChI=1SC13H14Cl3NO2c18(18)171075469(10)12(23)1911(17)13(1415)16h4711H13H3
MFCD02301581
ZINC000000098716
ZINC000000098718
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