Vitas-M small molecule compound
(2E)-1-(1,3-benzodioxol-5-yl)-3-[4-(methylsulfanyl)phenyl]prop-2-en-1-one
Catalog ID
STL025626
SMILES CSc1ccc(cc1)/C=C/C(=O)c1ccc2c(c1)OCO2
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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 C17H14O3S MW 298.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14O3S/c1-21-14-6-2-12(3-7-14)4-8-15(18)13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+InChIKey
MZVLZNGRTNGCOR-XBXARRHUSA-NSynonyms
1575480-59-9(2E)1(13benzodioxol5yl)3(4(methylsulfanyl)phenyl)prop2en1one
(E)1(13BENZODIOXOL5YL)3(4METHYLSULFANYLPHENYL)PROP2EN1ONE
(E)1(benzo(d)(13)dioxol5yl)3(4(methylthio)phenyl)prop2en1one
1575480599
CSC1=CC=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3
CSc1ccc(cc1)C=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC17H14O3Sc121146212(3714)4815(18)13591617(1013)20111916h210H11H21H3b84+
MFCD04007274
ZINC000005100014
ZINC05100014
ZINC5100014
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