Vitas-M small molecule compound
2-(6-methyl-2,3-dihydro-4H-1,4-benzoxazin-4-yl)-2-oxoethyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Catalog ID
STL187410
SMILES COc1cc(/C=C/C(=O)OCC(=O)N2CCOc3c2cc(C)cc3)ccc1OC
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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 C22H23NO6 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23NO6/c1-15-4-7-18-17(12-15)23(10-11-28-18)21(24)14-29-22(25)9-6-16-5-8-19(26-2)20(13-16)27-3/h4-9,12-13H,10-11,14H2,1-3H3/b9-6+InChIKey
CBECJBQKGKPMAO-RMKNXTFCSA-NSynonyms
(2(6methyl23dihydro14benzoxazin4yl)2oxoethyl)(E)3(34dimethoxyphenyl)prop2enoate
2(6methyl23dihydro4H14benzoxazin4yl)2oxoethyl(2E)3(34dimethoxyphenyl)prop2enoate
CC1=CC2=C(C=C1)OCCN2C(=O)COC(=O)C=CC3=CC(=C(C=C3)OC)OC
COc1cc(C=CC(=O)OCC(=O)N2CCOc3c2cc(C)cc3)ccc1OC
InChI=1SC22H23NO6c115471817(1215)23(10112818)21(24)142922(25)96165819(262)20(1316)273h491213H101114H213H3b96+
MFCD22388134
ZINC000072330816
ZINC72330816
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