Vitas-M small molecule compound
(2Z)-3-{3-[4-(2-methylpropoxy)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK817934
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)OCC(C)C)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 C30H25N5O2 MW 487.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25N5O2/c1-20(2)19-37-25-14-12-21(13-15-25)28-23(18-35(34-28)24-8-4-3-5-9-24)16-22(17-31)29-32-27-11-7-6-10-26(27)30(36)33-29/h3-16,18,20H,19H2,1-2H3,(H,32,33,36)/b22-16-InChIKey
YSERCHIEISYFIJ-JWGURIENSA-NSynonyms
(2Z)3(3(4(2methylpropoxy)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(4(2methylpropoxy)phenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
CC(C)COC1=CC=C(C=C1)C2=NN(C=C2C=C(C#N)C3=NC(=O)C4=CC=CC=C4N3)C5=CC=CC=C5
InChI=1SC30H25N5O2c120(2)193725141221(131525)2823(1835(3428)248435924)1622(1731)29322711761026(27)30(36)3329h3161820H19H212H3(H323336)b2216
MFCD06643032
N#CC(=Cc1cn(nc1c1ccc(cc1)OCC(C)C)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000016736647
ZINC16736647
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