Vitas-M small molecule compound
9-{4'-[(2-chloro-6-fluorobenzyl)oxy]-2-methoxybiphenyl-4-yl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK250238
SMILES COc1cc(ccc1c1ccc(cc1)OCc1c(F)cccc1Cl)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 C33H28ClFO5 MW 559.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28ClFO5/c1-38-30-17-20(31-32-26(36)7-3-9-28(32)40-29-10-4-8-27(37)33(29)31)13-16-22(30)19-11-14-21(15-12-19)39-18-23-24(34)5-2-6-25(23)35/h2,5-6,11-17,31H,3-4,7-10,18H2,1H3InChIKey
DUTRUPFGZRISNG-UHFFFAOYSA-NSynonyms
9(4((2chloro6fluorobenzyl)oxy)2methoxybiphenyl4yl)345679hexahydro1Hxanthene18(2H)dione
9(4(4((2chloro6fluorophenyl)methoxy)phenyl)3methoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)C5=CC=C(C=C5)OCC6=C(C=CC=C6Cl)F
InChI=1SC33H28ClFO5c138301720(313226(36)73928(32)4029104827(37)33(29)31)131622(30)19111421(151219)39182324(34)52625(23)35h256111731H3471018H21H3
MFCD08681988
ZINC000098045671
ZINC98045671
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