Vitas-M small molecule compound
2-[(2-methylphenyl)amino]-2-oxoethyl 2,3-dihydro-1,4-benzodioxine-2-carboxylate
Catalog ID
STL187776
SMILES O=C(Nc1ccccc1C)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 C18H17NO5 MW 327.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17NO5/c1-12-6-2-3-7-13(12)19-17(20)11-23-18(21)16-10-22-14-8-4-5-9-15(14)24-16/h2-9,16H,10-11H2,1H3,(H,19,20)InChIKey
VFKPQPPYWFRFRZ-UHFFFAOYSA-NSynonyms
(2(2methylanilino)2oxoethyl)23dihydro14benzodioxine3carboxylate
2((2methylphenyl)amino)2oxoethyl23dihydro14benzodioxine2carboxylate
CC1=CC=CC=C1NC(=O)COC(=O)C2COC3=CC=CC=C3O2
InChI=1SC18H17NO5c112623713(12)1917(20)112318(21)16102214845915(14)2416h2916H1011H21H3(H1920)
MFCD05318128
ZINC000003497735
ZINC000003497737
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