Vitas-M small molecule compound
9-{3,5-dichloro-4-[(4-methylbenzyl)oxy]phenyl}-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK111523
SMILES Cc1ccc(cc1)COc1c(Cl)cc(cc1Cl)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 C27H24Cl2O4 MW 483.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24Cl2O4/c1-15-8-10-16(11-9-15)14-32-27-18(28)12-17(13-19(27)29)24-25-20(30)4-2-6-22(25)33-23-7-3-5-21(31)26(23)24/h8-13,24H,2-7,14H2,1H3InChIKey
AKHNDZIZKPWZEE-UHFFFAOYSA-NSynonyms
9(35dichloro4((4methylbenzyl)oxy)phenyl)345679hexahydro1Hxanthene18(2H)dione
9(35dichloro4((4methylphenyl)methoxy)phenyl)345679hexahydro2Hxanthene18dione
CC1=CC=C(C=C1)COC2=C(C=C(C=C2Cl)C3C4=C(CCCC4=O)OC5=C3C(=O)CCC5)Cl
InChI=1SC27H24Cl2O4c11581016(11915)14322718(28)1217(1319(27)29)242520(30)42622(25)332373521(31)26(23)24h81324H2714H21H3
MFCD05625198
ZINC000009763315
ZINC09763315
ZINC9763315
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