Vitas-M small molecule compound
9-(3-chloro-4,5-dimethoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK198869
SMILES COc1c(Cl)cc(cc1OC)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 C21H21ClO5 MW 388.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClO5/c1-25-17-10-11(9-12(22)21(17)26-2)18-19-13(23)5-3-7-15(19)27-16-8-4-6-14(24)20(16)18/h9-10,18H,3-8H2,1-2H3InChIKey
UKCUANBQOSQXGP-UHFFFAOYSA-NSynonyms
9(3chloro45dimethoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(3chloro45dimethoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C(=CC(=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)Cl)OC
InChI=1SC21H21ClO5c125171011(912(22)21(17)262)181913(23)53715(19)271684614(24)20(16)18h91018H38H212H3
MFCD03708030
ZINC000001158107
ZINC01158107
ZINC1158107
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