Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl benzoate
Catalog ID
STK150462
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)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 C28H26O6 MW 458.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H26O6/c1-2-32-24-16-18(14-15-21(24)34-28(31)17-8-4-3-5-9-17)25-26-19(29)10-6-12-22(26)33-23-13-7-11-20(30)27(23)25/h3-5,8-9,14-16,25H,2,6-7,10-13H2,1H3InChIKey
VXVQRXYDDIAJSL-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)2ethoxyphenyl)benzoate
4(18dioxo23456789octahydro1Hxanthen9yl)2ethoxyphenylbenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC(=O)C5=CC=CC=C5
InChI=1SC28H26O6c1232241618(141521(24)3428(31)178435917)252619(29)1061222(26)33231371120(30)27(23)25h3589141625H2671013H21H3
MFCD04598769
ZINC000009720495
ZINC09720495
ZINC9720495
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