Vitas-M small molecule compound
9-{4-[(2,6-dichlorobenzyl)oxy]-3-methoxyphenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STL426966
SMILES COc1cc(ccc1OCc1c(Cl)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 C27H24Cl2O5 MW 499.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2O5/c1-32-24-13-15(11-12-21(24)33-14-16-17(28)5-2-6-18(16)29)25-26-19(30)7-3-9-22(26)34-23-10-4-8-20(31)27(23)25/h2,5-6,11-13,25H,3-4,7-10,14H2,1H3InChIKey
ZAHMJQZXBHKLGS-UHFFFAOYSA-NSynonyms
9(4((26dichlorobenzyl)oxy)3methoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(4((26dichlorophenyl)methoxy)3methoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC5=C(C=CC=C5Cl)Cl
InChI=1SC27H24Cl2O5c132241315(111221(24)33141617(28)52618(16)29)252619(30)73922(26)3423104820(31)27(23)25h256111325H3471014H21H3
MFCD04090814
ZINC000000687254
ZINC00687254
ZINC687254
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