Vitas-M small molecule compound
9-{4-[(2-fluorobenzyl)oxy]-3-methoxyphenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK150168
SMILES COc1cc(ccc1OCc1ccccc1F)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 C27H25FO5 MW 448.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25FO5/c1-31-24-14-16(12-13-21(24)32-15-17-6-2-3-7-18(17)28)25-26-19(29)8-4-10-22(26)33-23-11-5-9-20(30)27(23)25/h2-3,6-7,12-14,25H,4-5,8-11,15H2,1H3InChIKey
KHOSNELCPJNKHI-UHFFFAOYSA-NSynonyms
9(4((2fluorobenzyl)oxy)3methoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(4((2fluorophenyl)methoxy)3methoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC=CC=C5F
InChI=1SC27H25FO5c131241416(121321(24)321517623718(17)28)252619(29)841022(26)3323115920(30)27(23)25h2367121425H4581115H21H3
MFCD04550789
ZINC000009720416
ZINC09720416
ZINC9720416
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