Vitas-M small molecule compound
9-(1,3-benzodioxol-5-yl)-3,4,5,6,7,9-hexahydro-1H-xanthene-1,8(2H)-dione
Catalog ID
STK046022
SMILES O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C1=C(O2)CCCC1=O
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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 C20H18O5 MW 338.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18O5/c21-12-3-1-5-15-19(12)18(20-13(22)4-2-6-16(20)25-15)11-7-8-14-17(9-11)24-10-23-14/h7-9,18H,1-6,10H2InChIKey
PXRHMNRRSKOBEG-UHFFFAOYSA-NSynonyms
332172-84-6332172846
9(13benzodioxol5yl)345679hexahydro1Hxanthene18(2H)dione
9(13benzodioxol5yl)345679hexahydro2Hxanthene18dione
9(benzo(d)(13)dioxol5yl)345679hexahydro1Hxanthene18(2H)dione
C1CC2=C(C(C3=C(O2)CCCC3=O)C4=CC5=C(C=C4)OCO5)C(=O)C1
InChI=1SC20H18O5c21123151519(12)18(2013(22)42616(20)2515)11781417(911)24102314h7918H1610H2
MFCD00851833
O=C1CCCC2=C1C(c1ccc3c(c1)OCO3)C1=C(O2)CCCC1=O
STK046022
ZINC000000246192
ZINC00246192
ZINC246192
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