Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)phenyl 2-methylbenzoate
Catalog ID
STK250235
SMILES O=C1CCCC2=C1C(c1ccc(cc1)OC(=O)c1ccccc1C)C1=C(O2)CCCC1=O
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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 C27H24O5 MW 428.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24O5/c1-16-6-2-3-7-19(16)27(30)31-18-14-12-17(13-15-18)24-25-20(28)8-4-10-22(25)32-23-11-5-9-21(29)26(23)24/h2-3,6-7,12-15,24H,4-5,8-11H2,1H3InChIKey
WBTLJBPZANYRTJ-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)phenyl)2methylbenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)phenyl2methylbenzoate
CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5
InChI=1SC27H24O5c116623719(16)27(30)3118141217(131518)242520(28)841022(25)3223115921(29)26(23)24h2367121524H45811H21H3
MFCD03716565
ZINC000001114661
ZINC01114661
ZINC1114661
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