Vitas-M small molecule compound
2-[(5-chloro-2-methylphenyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187779
SMILES O=C(Nc1cc(Cl)ccc1C)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 C18H16ClNO5 MW 361.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16ClNO5/c1-11-6-7-12(19)8-13(11)20-17(21)10-24-18(22)16-9-23-14-4-2-3-5-15(14)25-16/h2-8,16H,9-10H2,1H3,(H,20,21)InChIKey
NRUZTUYVUAEJBE-UHFFFAOYSA-NSynonyms
869634-62-8(2(5chloro2methylanilino)2oxoethyl)23dihydro14benzodioxine3carboxylate
2((5chloro2methylphenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
869634628
CC1=C(C=C(C=C1)Cl)NC(=O)COC(=O)C2COC3=CC=CC=C3O2
InChI=1SC18H16ClNO5c1116712(19)813(11)2017(21)102418(22)1692314423515(14)2516h2816H910H21H3(H2021)
MFCD05318122
ZINC000003497720
ZINC000003497721
ZINC03497720
ZINC03497721
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