Vitas-M small molecule compound
(2Z)-3-[3-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-phenyl-1H-pyrazol-4-yl]-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK817604
SMILES N#C/C(=C/c1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)/c1nc2ccccc2c(=O)[nH]1
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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 C28H19N5O3 MW 473.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19N5O3/c29-16-19(27-30-23-9-5-4-8-22(23)28(34)31-27)14-20-17-33(21-6-2-1-3-7-21)32-26(20)18-10-11-24-25(15-18)36-13-12-35-24/h1-11,14-15,17H,12-13H2,(H,30,31,34)/b19-14-InChIKey
ZBNYESHNEMLGGD-RGEXLXHISA-NSynonyms
(2Z)3(3(23dihydro14benzodioxin6yl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(23dihydro14benzodioxin6yl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
C1COC2=C(O1)C=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6
InChI=1SC28H19N5O3c291619(273023954822(23)28(34)3127)14201733(216213721)3226(20)1810112425(1518)3613123524h111141517H1213H2(H303134)b1914
MFCD04447451
N#CC(=Cc1cn(nc1c1ccc2c(c1)OCCO2)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000009972259
ZINC09972259
ZINC9972259
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