Vitas-M small molecule compound
diphenyl (4-tert-butyl-2-hydroxy-3,6-dioxocyclohexa-1,4-dien-1-yl)phosphonate
Catalog ID
STK683858
SMILES O=C1C=C(C(=O)C(=C1P(=O)(Oc1ccccc1)Oc1ccccc1)O)C(C)(C)C
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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 C22H21O6P MW 412.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21O6P/c1-22(2,3)17-14-18(23)21(20(25)19(17)24)29(26,27-15-10-6-4-7-11-15)28-16-12-8-5-9-13-16/h4-14,25H,1-3H3InChIKey
JKOHGQJUYPBERO-UHFFFAOYSA-NSynonyms
5TERTBUTYL2DIPHENOXYPHOSPHORYL3HYDROXYCYCLOHEXA25DIENE14DIONE
CC(C)(C)C1=CC(=O)C(=C(C1=O)O)P(=O)(OC2=CC=CC=C2)OC3=CC=CC=C3
diphenyl(4tertbutyl2hydroxy36dioxocyclohexa14dien1yl)phosphonate
InChI=1SC22H21O6Pc122(23)171418(23)21(20(25)19(17)24)29(262715106471115)2816128591316h41425H13H3
MFCD05258852
ZINC000098006308
ZINC98006308
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