Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-tert-butylbenzoate
Catalog ID
STK115222
SMILES O=C(c1ccc(cc1)C(C)(C)C)Oc1ccc(cc1)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 C30H30O5 MW 470.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30O5/c1-30(2,3)20-14-10-19(11-15-20)29(33)34-21-16-12-18(13-17-21)26-27-22(31)6-4-8-24(27)35-25-9-5-7-23(32)28(25)26/h10-17,26H,4-9H2,1-3H3InChIKey
GGWBJOSKUQGCCN-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)4tertbutylbenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)phenyl4tertbutylbenzoate
CC(C)(C)C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC30H30O5c130(23)20141019(111520)29(33)3421161218(131721)262722(31)64824(27)352595723(32)28(25)26h101726H49H213H3
MFCD04277856
ZINC000009592518
ZINC09592518
ZINC9592518
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