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Vitas-M small molecule compound

(2E)-3-(1,3-benzodioxol-5-yl)-1-(4-methylphenyl)prop-2-en-1-one

Catalog ID
STL368447
SMILES Cc1ccc(cc1)C(=O)/C=C/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 C17H14O3 MW 266.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14O3/c1-12-2-6-14(7-3-12)15(18)8-4-13-5-9-16-17(10-13)20-11-19-16/h2-10H,11H2,1H3/b8-4+
InChIKey
JWGMSRAHCNKMBC-XBXARRHUSA-N
Synonyms
37620-38-5
(2E)3(13benzodioxol5yl)1(4methylphenyl)prop2en1one
(E)3(13BENZODIOXOL5YL)1(4METHYLPHENYL)PROP2EN1ONE
(E)3(13BENZODIOXOL5YL)1(PTOLYL)PROP2EN1ONE
2PROPEN1ONE3(13BENZODIOL5YL)1(4METHYLPHENYL)
2PROPEN1ONE3(13BENZODIOXOL5YL)1(4METHYLPHENYL)
3(13BENZODIOL5YL)1(4METHYLPHENYL)2PROPEN1ONE
3(13BENZODIOXOL5YL)1(4METHYLPHENYL)2PROPEN1ONE
3(2H13BENZODIOXOL5YL)1(4METHYLPHENYL)PROP2EN1ONE
37620385
4METHYLBETA(13BENZODIOXOLE5YL)ACRYLOPHENONE
CC1=CC=C(C=C1)C(=O)C=CC2=CC3=C(C=C2)OCO3
Cc1ccc(cc1)C(=O)C=Cc1ccc2c(c1)OCO2
CHALCONE4METHYL34(METHYLENEDIOXY)
InChI=1SC17H14O3c1122614(7312)15(18)8413591617(1013)20111916h210H11H21H3b84+
MFCD00022950
ZINC000004276686
ZINC04276686
ZINC4276686

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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