Vitas-M small molecule compound
2-[(2-chloro-4-methylphenyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187780
SMILES O=C(Nc1ccc(cc1Cl)C)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/c1-11-6-7-13(12(19)8-11)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
VQLFUGBKNXGRBU-UHFFFAOYSA-NSynonyms
(2(2chloro4methylanilino)2oxoethyl)23dihydro14benzodioxine3carboxylate
2((2chloro4methylphenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
CC1=CC(=C(C=C1)NC(=O)COC(=O)C2COC3=CC=CC=C3O2)Cl
InChI=1SC18H16ClNO5c1116713(12(19)811)2017(21)102418(22)1692314423515(14)2516h2816H910H21H3(H2021)
MFCD05318162
ZINC000003497795
ZINC000003497797
ZINC03497795
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