Vitas-M small molecule compound
9-(5-chloro-2-methoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK199241
SMILES COc1ccc(cc1C1C2=C(CCCC2=O)OC2=C1C(=O)CCC2)Cl
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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 C20H19ClO4 MW 358.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClO4/c1-24-15-9-8-11(21)10-12(15)18-19-13(22)4-2-6-16(19)25-17-7-3-5-14(23)20(17)18/h8-10,18H,2-7H2,1H3InChIKey
NCWQCGXZFZMPRP-UHFFFAOYSA-NSynonyms
9(5chloro2methoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(5chloro2methoxyphenyl)345679hexahydro2Hxanthene18dione
COC1=C(C=C(C=C1)Cl)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4
InChI=1SC20H19ClO4c124159811(21)1012(15)181913(22)42616(19)251773514(23)20(17)18h81018H27H21H3
MFCD03649643
ZINC000004545286
ZINC04545286
ZINC4545286
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