Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-methoxyphenyl octanoate
Catalog ID
STK679448
SMILES CCCCCCCC(=O)Oc1ccc(cc1OC)C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2
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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 C28H34O6 MW 466.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H34O6/c1-3-4-5-6-7-14-25(31)34-21-16-15-18(17-24(21)32-2)26-27-19(29)10-8-12-22(27)33-23-13-9-11-20(30)28(23)26/h15-17,26H,3-14H2,1-2H3InChIKey
REDLBPLWHLVJAA-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)2methoxyphenyl)octanoate
4(18dioxo23456789octahydro1Hxanthen9yl)2methoxyphenyloctanoate
CCCCCCCC(=O)OC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC
InChI=1SC28H34O6c1345671425(31)3421161518(1724(21)322)262719(29)1081222(27)33231391120(30)28(23)26h151726H314H212H3
MFCD03763542
ZINC000003622460
ZINC3622460
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