Vitas-M small molecule compound
(2Z)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-[4-methoxy-3-(1H-pyrazol-1-ylmethyl)phenyl]prop-2-en-1-one
Catalog ID
STL394871
SMILES COc1ccc(cc1Cn1cccn1)/C=C\C(=O)c1ccc2c(c1)OCCO2
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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 C22H20N2O4 MW 376.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N2O4/c1-26-20-7-4-16(13-18(20)15-24-10-2-9-23-24)3-6-19(25)17-5-8-21-22(14-17)28-12-11-27-21/h2-10,13-14H,11-12,15H2,1H3/b6-3-InChIKey
FXEHLDLVPJFKBH-UTCJRWHESA-NSynonyms
1005634-41-2(2Z)1(23DIHYDRO14BENZODIOXIN6YL)3(4METHOXY3(1HPYRAZOL1YLMETHYL)PHENYL)PROP2EN1ONE
(Z)1(23dihydro14benzodioxin6yl)3(4methoxy3(pyrazol1ylmethyl)phenyl)prop2en1one
1005634412
COC1=C(C=C(C=C1)C=CC(=O)C2=CC3=C(C=C2)OCCO3)CN4C=CC=N4
COc1ccc(cc1Cn1cccn1)C=CC(=O)c1ccc2c(c1)OCCO2
InChI=1SC22H20N2O4c126207416(1318(20)152410292324)3619(25)17582122(1417)2812112721h2101314H111215H21H3b63
MFCD04052998
ZINC000006490718
ZINC06490718
ZINC6490718
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