Vitas-M small molecule compound
2-{[2-chloro-5-(trifluoromethyl)phenyl]amino}-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187771
SMILES O=C(Nc1cc(ccc1Cl)C(F)(F)F)COC(=O)C1COc2c(O1)cccc2
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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 C18H13ClF3NO5 MW 415.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H13ClF3NO5/c19-11-6-5-10(18(20,21)22)7-12(11)23-16(24)9-27-17(25)15-8-26-13-3-1-2-4-14(13)28-15/h1-7,15H,8-9H2,(H,23,24)InChIKey
VXADUIHPKULVFC-UHFFFAOYSA-NSynonyms
852307-71-2(2(2CHLORO5(TRIFLUOROMETHYL)ANILINO)2OXOETHYL)23DIHYDRO14BENZODIOXINE3CARBOXYLATE
2((2chloro5(trifluoromethyl)phenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
852307712
C1C(OC2=CC=CC=C2O1)C(=O)OCC(=O)NC3=C(C=CC(=C3)C(F)(F)F)Cl
InChI=1SC18H13ClF3NO5c19116510(18(2021)22)712(11)2316(24)92717(25)1582613312414(13)2815h1715H89H2(H2324)
MFCD05318107
ZINC000009119667
ZINC000009119668
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