Vitas-M small molecule compound
9-(4-butoxy-3-ethoxyphenyl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK220203
SMILES CCCCOc1ccc(cc1OCC)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 C25H30O5 MW 410.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30O5/c1-3-5-14-29-19-13-12-16(15-22(19)28-4-2)23-24-17(26)8-6-10-20(24)30-21-11-7-9-18(27)25(21)23/h12-13,15,23H,3-11,14H2,1-2H3InChIKey
KMTDKRASUWVGDR-UHFFFAOYSA-NSynonyms
9(4butoxy3ethoxyphenyl)345679hexahydro1Hxanthene18(2H)dione
9(4butoxy3ethoxyphenyl)345679hexahydro2Hxanthene18dione
CCCCOC1=C(C=C(C=C1)C2C3=C(CCCC3=O)OC4=C2C(=O)CCC4)OCC
InChI=1SC25H30O5c135142919131216(1522(19)2842)232417(26)861020(24)3021117918(27)25(21)23h12131523H31114H212H3
MFCD08676789
ZINC000004815340
ZINC04815340
ZINC4815340
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