Vitas-M small molecule compound
(2E)-1-(2-hydroxy-5-methylphenyl)-3-(2,3,4,5-tetrahydro-1,6-benzodioxocin-8-yl)prop-2-en-1-one
Catalog ID
STL512414
SMILES Cc1ccc(c(c1)C(=O)/C=C/c1ccc2c(c1)OCCCCO2)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 C20H20O4 MW 324.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20O4/c1-14-4-7-17(21)16(12-14)18(22)8-5-15-6-9-19-20(13-15)24-11-3-2-10-23-19/h4-9,12-13,21H,2-3,10-11H2,1H3/b8-5+InChIKey
VQWRVCPYJLFQHM-VMPITWQZSA-NSynonyms
(~(E))1(2hydroxy5methylphenyl)3(2345tetrahydro16benzodioxocin8yl)prop2en1one
(2E)1(2hydroxy5methylphenyl)3(2345tetrahydro16benzodioxocin8yl)prop2en1one
(E)1(2hydroxy5methylphenyl)3(2345tetrahydrobenzo(b)(14)dioxocin8yl)prop2en1one
170709021
6295799
Cc1ccc(c(c1)C(=O)C=Cc1ccc2c(c1)OCCCCO2)O
InChI=1SC20H20O4c1144717(21)16(1214)18(22)8515691920(1315)241132102319h49121321H231011H21H3b85+
MFCD00710048
ZINC000004026910
ZINC4026910
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