Vitas-M small molecule compound

(2Z)-1-(1,3-benzodioxol-5-yl)-3-(1-methyl-1H-pyrazol-4-yl)prop-2-en-1-one

Catalog ID
STK306434
SMILES Cn1ncc(c1)/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 C14H12N2O3 MW 256.26 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12N2O3/c1-16-8-10(7-15-16)2-4-12(17)11-3-5-13-14(6-11)19-9-18-13/h2-8H,9H2,1H3/b4-2-
InChIKey
BEKDDKHOGOQOMW-RQOWECAXSA-N
Synonyms
1005652-95-8
(2Z)1(13benzodioxol5yl)3(1methyl1Hpyrazol4yl)prop2en1one
(Z)1(13benzodioxol5yl)3(1methylpyrazol4yl)prop2en1one
1005652958
CN1C=C(C=N1)C=CC(=O)C2=CC3=C(C=C2)OCO3
Cn1ncc(c1)C=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC14H12N2O3c116810(71516)2412(17)11351314(611)1991813h28H9H21H3b42
MFCD04052013
ZINC000006828151
ZINC06828151
ZINC6828151

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Available files

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