Vitas-M small molecule compound

(2Z)-3-{3-[3-(morpholin-4-ylsulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-2-(4-oxo-3,4-dihydroquinazolin-2-yl)prop-2-enenitrile

Catalog ID
STK817964
SMILES N#C/C(=C/c1cn(nc1c1cccc(c1)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(29-32-27-12-5-4-11-26(27)30(37)33-29)17-23-20-36(24-8-2-1-3-9-24)34-28(23)21-7-6-10-25(18-21)41(38,39)35-13-15-40-16-14-35/h1-12,17-18,20H,13-16H2,(H,32,33,37)/b22-17-
InChIKey
UOHFFZNLNHMMDU-XLNRJJMWSA-N
Synonyms

(2Z)3(3(3(morpholin4ylsulfonyl)phenyl)1phenyl1Hpyrazol4yl)2(4oxo34dihydroquinazolin2yl)prop2enenitrile
(Z)3(3(3morpholin4ylsulfonylphenyl)1phenylpyrazol4yl)2(4oxo1Hquinazolin2yl)prop2enenitrile
C1COCCN1S(=O)(=O)C2=CC=CC(=C2)C3=NN(C=C3C=C(C#N)C4=NC(=O)C5=CC=CC=C5N4)C6=CC=CC=C6
InChI=1SC30H24N6O4Sc311922(29322712541126(27)30(37)3329)17232036(248213924)3428(23)21761025(1821)41(3839)35131540161435h112171820H1316H2(H323337)b2217
MFCD06643035
N#CC(=Cc1cn(nc1c1cccc(c1)S(=O)(=O)N1CCOCC1)c1ccccc1)c1nc2ccccc2c(=O)(nH)1
ZINC000097946747
ZINC97946747

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Available files

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