Vitas-M small molecule compound
(2Z)-1-(1,3-benzodioxol-5-yl)-3-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one
Catalog ID
STK306998
SMILES COc1ccc(cc1Cn1cccn1)/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 C21H18N2O4 MW 362.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O4/c1-25-19-7-4-15(11-17(19)13-23-10-2-9-22-23)3-6-18(24)16-5-8-20-21(12-16)27-14-26-20/h2-12H,13-14H2,1H3/b6-3-InChIKey
WVJQXSWDKXDSPK-UTCJRWHESA-NSynonyms
1005610-65-0(2Z)1(13benzodioxol5yl)3(4methoxy3(1Hpyrazol1ylmethyl)phenyl)prop2en1one
(Z)1(13benzodioxol5yl)3(4methoxy3(pyrazol1ylmethyl)phenyl)prop2en1one
1005610650
COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCO3)CN4C=CC=N4
COc1ccc(cc1Cn1cccn1)C=CC(=O)c1ccc2c(c1)OCO2
InChI=1SC21H18N2O4c125197415(1117(19)132310292223)3618(24)16582021(1216)27142620h212H1314H21H3b63
MFCD04052803
ZINC000006490719
ZINC06490719
ZINC6490719
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