Vitas-M small molecule compound
2-methoxy-4-(3,3,6,6-tetramethyl-1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 4-tert-butylbenzoate
Catalog ID
STK143642
SMILES COc1cc(ccc1OC(=O)c1ccc(cc1)C(C)(C)C)C1C2=C(OC3=C1C(=O)CC(C3)(C)C)CC(CC2=O)(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 C35H40O6 MW 556.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H40O6/c1-33(2,3)22-12-9-20(10-13-22)32(38)41-25-14-11-21(15-26(25)39-8)29-30-23(36)16-34(4,5)18-27(30)40-28-19-35(6,7)17-24(37)31(28)29/h9-15,29H,16-19H2,1-8H3InChIKey
WOLGKUBDZFEOOC-UHFFFAOYSA-NSynonyms
(2methoxy4(3366tetramethyl18dioxo4579tetrahydro2Hxanthen9yl)phenyl)4tertbutylbenzoate
2methoxy4(3366tetramethyl18dioxo23456789octahydro1Hxanthen9yl)phenyl4tertbutylbenzoate
CC1(CC2=C(C(C3=C(O2)CC(CC3=O)(C)C)C4=CC(=C(C=C4)OC(=O)C5=CC=C(C=C5)C(C)(C)C)OC)C(=O)C1)C
InChI=1SC35H40O6c133(23)2212920(101322)32(38)4125141121(1526(25)398)293023(36)1634(45)1827(30)40281935(67)1724(37)31(28)29h91529H1619H218H3
MFCD03862144
ZINC000002128693
ZINC02128693
ZINC2128693
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