Vitas-M small molecule compound
2-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-1-(2,4-dihydroxy-5-propylphenyl)ethanone
Catalog ID
STL512436
SMILES CCCc1cc(C(=O)Cc2ccc3c(c2)OCCCO3)c(cc1O)O
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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 C20H22O5 MW 342.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H22O5/c1-2-4-14-11-15(18(23)12-16(14)21)17(22)9-13-5-6-19-20(10-13)25-8-3-7-24-19/h5-6,10-12,21,23H,2-4,7-9H2,1H3InChIKey
YUGBBGHXLVNUFM-UHFFFAOYSA-NSynonyms
170511361
2(2H3H4HBENZO(B)14DIOXEPIN7YL)1(24DIHYDROXY5PROPYLPHENYL)ETHAN1ONE
2(34dihydro2~(H)15benzodioxepin7yl)1(24dihydroxy5propylphenyl)ethanone
2(34dihydro2H15benzodioxepin7yl)1(24dihydroxy5propylphenyl)ethanone
2(34dihydro2Hbenzo(b)(14)dioxepin7yl)1(24dihydroxy5propylphenyl)ethanone
728455
InChI=1SC20H22O5c124141115(18(23)1216(14)21)17(22)913561920(1013)258372419h5610122123H2479H21H3
MFCD01235737
ZINC000000138886
ZINC138886
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