Vitas-M small molecule compound
(2Z)-2-(4-oxo-3,4-dihydroquinazolin-2-yl)-3-{1-phenyl-3-[4-(pyrrolidin-1-ylsulfonyl)phenyl]-1H-pyrazol-4-yl}prop-2-enenitrile
Catalog ID
STK817600
SMILES N#C/C(=C/c1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCCC1)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 C30H24N6O3S MW 548.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H24N6O3S/c31-19-22(29-32-27-11-5-4-10-26(27)30(37)33-29)18-23-20-36(24-8-2-1-3-9-24)34-28(23)21-12-14-25(15-13-21)40(38,39)35-16-6-7-17-35/h1-5,8-15,18,20H,6-7,16-17H2,(H,32,33,37)/b22-18-InChIKey
GHDWISPSNBPVGF-PYCFMQQDSA-NSynonyms
(2Z)2(4oxo34dihydroquinazolin2yl)3(1phenyl3(4(pyrrolidin1ylsulfonyl)phenyl)1Hpyrazol4yl)prop2enenitrile
(Z)2(4oxo1Hquinazolin2yl)3(1phenyl3(4pyrrolidin1ylsulfonylphenyl)pyrazol4yl)prop2enenitrile
C1CCN(C1)S(=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=1SC30H24N6O3Sc311922(29322711541026(27)30(37)3329)18232036(248213924)3428(23)21121425(151321)40(3839)3516671735h158151820H671617H2(H323337)b2218
MFCD04447448
N#CC(=Cc1cn(nc1c1ccc(cc1)S(=O)(=O)N1CCCC1)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000097946851
ZINC97946851
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