Vitas-M small molecule compound

N'-[(E)-(2-chlorophenyl)methylidene]-2-{[3-(2-methylprop-2-en-1-yl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}acetohydrazide

Catalog ID
STL000159
SMILES O=C(CSc1nc2ccccc2c(=O)n1CC(=C)C)N/N=C/c1ccccc1Cl

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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 C21H19ClN4O2S MW 426.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN4O2S/c1-14(2)12-26-20(28)16-8-4-6-10-18(16)24-21(26)29-13-19(27)25-23-11-15-7-3-5-9-17(15)22/h3-11H,1,12-13H2,2H3,(H,25,27)/b23-11+
InChIKey
RWQFSEUCKRPEMT-FOKLQQMPSA-N
Synonyms
329709-04-8
(E)N(2chlorobenzylidene)2((3(2methylallyl)4oxo34dihydroquinazolin2yl)thio)acetohydrazide
329709048
CC(=C)CN1C(=O)C2=CC=CC=C2N=C1SCC(=O)NN=CC3=CC=CC=C3Cl
InChI=1SC21H19ClN4O2Sc114(2)122620(28)168461018(16)2421(26)291319(27)25231115735917(15)22h311H11213H22H3(H2527)b2311+
MFCD01028723
N((1E)2(2CHLOROPHENYL)1AZAVINYL)2(3(2METHYLPROP2ENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
N((E)(2chlorophenyl)methylidene)2((3(2methylprop2en1yl)4oxo34dihydroquinazolin2yl)sulfanyl)acetohydrazide
N((E)(2CHLOROPHENYL)METHYLIDENEAMINO)2(3(2METHYLPROP2ENYL)4OXOQUINAZOLIN2YL)SULFANYLACETAMIDE
N(2CHLOROBENZYLIDENE)2((3(2METHYL2PROPENYL)4OXO34DIHYDRO2QUINAZOLINYL)SULFANYL)ACETOHYDRAZIDE
O=C(CSc1nc2ccccc2c(=O)n1CC(=C)C)NN=Cc1ccccc1Cl
ZINC000000799256
ZINC33340092

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Available files

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