Vitas-M small molecule compound
4'-(1,8-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-xanthen-9-yl)-2'-ethoxybiphenyl-4-yl 4-tert-butylbenzoate
Catalog ID
STK250237
SMILES CCOc1cc(ccc1c1ccc(cc1)OC(=O)c1ccc(cc1)C(C)(C)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 C38H38O6 MW 590.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C38H38O6/c1-5-42-33-22-25(34-35-29(39)8-6-10-31(35)44-32-11-7-9-30(40)36(32)34)16-21-28(33)23-14-19-27(20-15-23)43-37(41)24-12-17-26(18-13-24)38(2,3)4/h12-22,34H,5-11H2,1-4H3InChIKey
QXUSSNWQVLQEIX-UHFFFAOYSA-NSynonyms
(4(4(18dioxo345679hexahydro2Hxanthen9yl)2ethoxyphenyl)phenyl)4tertbutylbenzoate
4(18dioxo23456789octahydro1Hxanthen9yl)2ethoxybiphenyl4yl4tertbutylbenzoate
CCOC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)C5=CC=C(C=C5)OC(=O)C6=CC=C(C=C6)C(C)(C)C
InChI=1SC38H38O6c1542332225(343529(39)861031(35)4432117930(40)36(32)34)162128(33)23141927(201523)4337(41)24121726(181324)38(23)4h122234H511H214H3
MFCD08681987
ZINC000098045670
ZINC98045670
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