Vitas-M small molecule compound

2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-{(E)-[2-hydroxy-3-(prop-2-en-1-yl)phenyl]methylidene}acetohydrazide

Catalog ID
STK107217
SMILES C=CCc1cccc(c1O)/C=N/NC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br

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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 C26H21BrN4O3S MW 549.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H21BrN4O3S/c1-2-6-17-7-5-8-18(24(17)33)15-28-30-23(32)16-35-26-29-22-10-4-3-9-21(22)25(34)31(26)20-13-11-19(27)12-14-20/h2-5,7-15,33H,1,6,16H2,(H,30,32)/b28-15+
InChIKey
STSJXTPYEWDXKL-RWPZCVJISA-N
Synonyms
488119-02-4
(E)N(3allyl2hydroxybenzylidene)2((3(4bromophenyl)4oxo34dihydroquinazolin2yl)thio)acetohydrazide
2((3(4bromophenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((E)(2hydroxy3(prop2en1yl)phenyl)methylidene)acetohydrazide
488119024
C=CCc1cccc(c1O)C=NNC(=O)CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br
MFCD03218882
ZINC000002329909

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.