Vitas-M small molecule compound
4-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2-ethoxyphenyl 3-methylbenzoate
Catalog ID
STK116345
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)C)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 C29H28O6 MW 472.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H28O6/c1-3-33-25-16-18(13-14-22(25)35-29(32)19-8-4-7-17(2)15-19)26-27-20(30)9-5-11-23(27)34-24-12-6-10-21(31)28(24)26/h4,7-8,13-16,26H,3,5-6,9-12H2,1-2H3InChIKey
OPHILOVTTLJWMY-UHFFFAOYSA-NSynonyms
(4(18dioxo345679hexahydro2Hxanthen9yl)2ethoxyphenyl)3methylbenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)2ethoxyphenyl3methylbenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OC(=O)C5=CC(=CC=C5)C
InChI=1SC29H28O6c1333251618(131422(25)3529(32)1984717(2)1519)262720(30)951123(27)34241261021(31)28(24)26h478131626H356912H212H3
MFCD04276646
ZINC000001462454
ZINC01462454
ZINC1462454
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