Vitas-M small molecule compound
(2E)-3-(1,3-benzodioxol-5-yl)-1-(2,4,6-trimethylphenyl)prop-2-en-1-one
Catalog ID
STL367803
SMILES Cc1cc(C)c(c(c1)C)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 C19H18O3 MW 294.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18O3/c1-12-8-13(2)19(14(3)9-12)16(20)6-4-15-5-7-17-18(10-15)22-11-21-17/h4-10H,11H2,1-3H3/b6-4+InChIKey
JAGNGERHZTWSIS-GQCTYLIASA-NSynonyms
(2E)3(13benzodioxol5yl)1(246trimethylphenyl)prop2en1one
(E)3(13benzodioxol5yl)1(246trimethylphenyl)prop2en1one
CC1=CC(=C(C(=C1)C)C(=O)C=CC2=CC3=C(C=C2)OCO3)C
Cc1cc(C)c(c(c1)C)C(=O)C=Cc1ccc2c(c1)OCO2
InChI=1SC19H18O3c112813(2)19(14(3)912)16(20)6415571718(1015)22112117h410H11H213H3b64+
MFCD00758672
ZINC000096191230
ZINC96191230
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