Vitas-M small molecule compound
2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Catalog ID
STL187424
SMILES COc1ccc(cc1OC)/C=C/C(=O)OCC(=O)Nc1ccc2c(c1)OCCO2
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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 C21H21NO7 MW 399.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21NO7/c1-25-16-6-3-14(11-18(16)26-2)4-8-21(24)29-13-20(23)22-15-5-7-17-19(12-15)28-10-9-27-17/h3-8,11-12H,9-10,13H2,1-2H3,(H,22,23)/b8-4+InChIKey
LETATUGUIGNKIY-XBXARRHUSA-NSynonyms
(2(23DIHYDRO14BENZODIOXIN6YLAMINO)2OXOETHYL)(E)3(34DIMETHOXYPHENYL)PROP2ENOATE
2(23dihydro14benzodioxin6ylamino)2oxoethyl(2E)3(34dimethoxyphenyl)prop2enoate
COC1=C(C=C(C=C1)C=CC(=O)OCC(=O)NC2=CC3=C(C=C2)OCCO3)OC
COc1ccc(cc1OC)C=CC(=O)OCC(=O)Nc1ccc2c(c1)OCCO2
InChI=1SC21H21NO7c125166314(1118(16)262)4821(24)291320(23)2215571719(1215)281092717h381112H91013H212H3(H2223)b84+
MFCD05302315
ZINC000005403524
ZINC5403524
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