Vitas-M small molecule compound
9-{4-[(3-fluorobenzyl)oxy]-3-methoxyphenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198865
SMILES COc1cc(ccc1OCc1cccc(c1)F)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/c1-31-24-14-17(11-12-21(24)32-15-16-5-2-6-18(28)13-16)25-26-19(29)7-3-9-22(26)33-23-10-4-8-20(30)27(23)25/h2,5-6,11-14,25H,3-4,7-10,15H2,1H3InChIKey
MZYPCAYGYBXGOQ-UHFFFAOYSA-NSynonyms
9(4((3fluorobenzyl)oxy)3methoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(4((3fluorophenyl)methoxy)3methoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=CC(=CC=C5)F
InChI=1SC27H25FO5c131241417(111221(24)32151652618(28)1316)252619(29)73922(26)3323104820(30)27(23)25h256111425H3471015H21H3
MFCD03707446
ZINC000001156394
ZINC01156394
ZINC1156394
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