Vitas-M small molecule compound

2-{[3-(2-methylphenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(1E,2E)-2-methyl-3-phenylprop-2-en-1-ylidene]acetohydrazide

Catalog ID
STL338103
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)N/N=C/C(=C/c1ccccc1)/C

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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 C27H24N4O2S MW 468.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N4O2S/c1-19(16-21-11-4-3-5-12-21)17-28-30-25(32)18-34-27-29-23-14-8-7-13-22(23)26(33)31(27)24-15-9-6-10-20(24)2/h3-17H,18H2,1-2H3,(H,30,32)/b19-16+,28-17+
InChIKey
YTBKHUDIENNPKC-SILQRRHJSA-N
Synonyms
612811-36-6
(E)N((E)2methyl3phenylallylidene)2((4oxo3(otolyl)34dihydroquinazolin2yl)thio)acetohydrazide
2((3(2methylphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((1E2E)2methyl3phenylprop2en1ylidene)acetohydrazide
2(3(2METHYLPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((E)((E)2METHYL3PHENYLPROP2ENYLIDENE)AMINO)ACETAMIDE
612811366
CC1=CC=CC=C1N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC(=CC4=CC=CC=C4)C
InChI=1SC27H24N4O2Sc119(1621114351221)17283025(32)183427292314871322(23)26(33)31(27)2415961020(24)2h317H18H212H3(H3032)b1916+2817+
MFCD03219013
N((1E3E)3METHYL4PHENYL1AZABUTA13DIENYL)2(3(2METHYLPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
O=C(CSc1nc2ccccc2c(=O)n1c1ccccc1C)NN=CC(=Cc1ccccc1)C
ZINC000002239279
ZINC33766957

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Available files

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