Vitas-M small molecule compound
(2Z)-3-{3-[4-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile
Catalog ID
STK817935
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)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 C30H24N6O4S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N6O4S/c31-19-22(29-32-27-9-5-4-8-26(27)30(37)33-29)18-23-20-36(24-6-2-1-3-7-24)34-28(23)21-10-12-25(13-11-21)41(38,39)35-14-16-40-17-15-35/h1-13,18,20H,14-17H2,(H,32,33,37)/b22-18-InChIKey
MPPKGDNAYDUHOJ-PYCFMQQDSA-NSynonyms
(2Z)3(3(4(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(4morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
C1COCCN1S(=O)(=O)C2=CC=C(C=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6
InChI=1SC30H24N6O4Sc311922(293227954826(27)30(37)3329)18232036(246213724)3428(23)21101225(131121)41(3839)35141640171535h1131820H1417H2(H323337)b2218
MFCD06643033
N#CC(=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000097946744
ZINC97946744
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