Vitas-M small molecule compound

5-tert-butyl-2-(diphenylphosphoryl)-3-hydroxycyclohexa-2,5-diene-1,4-dione

Catalog ID
STK683002
SMILES O=C1C=C(C(=O)C(=C1P(=O)(c1ccccc1)c1ccccc1)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 C22H21O4P MW 380.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21O4P/c1-22(2,3)17-14-18(23)21(20(25)19(17)24)27(26,15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14,25H,1-3H3
InChIKey
PNXGFRBQWQNLPM-UHFFFAOYSA-N
Synonyms

5tertbutyl2(diphenylphosphoryl)3hydroxycyclohexa25diene14dione
5TERTBUTYL2DIPHENYLPHOSPHORYL3HYDROXYCYCLOHEXA25DIENE14DIONE
CC(C)(C)C1=CC(=O)C(=C(C1=O)O)P(=O)(C2=CC=CC=C2)C3=CC=CC=C3
InChI=1SC22H21O4Pc122(23)171418(23)21(20(25)19(17)24)27(2615106471115)16128591316h41425H13H3
MFCD04061771
ZINC000001421265
ZINC1421265

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Available files

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