Vitas-M small molecule compound
4-(1,3-benzodioxol-5-yl)-3-hydroxy-1-(4-methoxyphenyl)butan-1-one
Catalog ID
STL435976
SMILES COc1ccc(cc1)C(=O)CC(Cc1ccc2c(c1)OCO2)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 C18H18O5 MW 314.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18O5/c1-21-15-5-3-13(4-6-15)16(20)10-14(19)8-12-2-7-17-18(9-12)23-11-22-17/h2-7,9,14,19H,8,10-11H2,1H3InChIKey
OJYHHDDPFZXRNZ-UHFFFAOYSA-NSynonyms
1878190-09-01878190090
4(13benzodioxol5yl)3hydroxy1(4methoxyphenyl)butan1one
COC1=CC=C(C=C1)C(=O)CC(CC2=CC3=C(C=C2)OCO3)O
InChI=1SC18H18O5c121155313(4615)16(20)1014(19)812271718(912)23112217h2791419H81011H21H3
MFCD30711882
ZINC000253470605
ZINC000253470606
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