Vitas-M small molecule compound

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

Catalog ID
STK568246
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)N/N=C/c1cccc(c1)[N+](=O)[O-]

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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 C23H16ClN5O4S MW 493.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN5O4S/c24-16-8-10-17(11-9-16)28-22(31)19-6-1-2-7-20(19)26-23(28)34-14-21(30)27-25-13-15-4-3-5-18(12-15)29(32)33/h1-13H,14H2,(H,27,30)/b25-13+
InChIKey
PYQVZYCHOYHDPZ-DHRITJCHSA-N
Synonyms
612829-78-4
(E)2((3(4chlorophenyl)4oxo34dihydroquinazolin2yl)thio)N(3nitrobenzylidene)acetohydrazide
2((3(4chlorophenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((E)(3nitrophenyl)methylidene)acetohydrazide
2(3(4CHLOROPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((E)(3NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
612829784
C1=CC=C2C(=C1)C(=O)N(C(=N2)SCC(=O)NN=CC3=CC(=CC=C3)(N+)(=O)(O))C4=CC=C(C=C4)Cl
InChI=1SC23H16ClN5O4Sc241681017(11916)2822(31)19612720(19)2623(28)341421(30)2725131543518(1215)29(32)33h113H14H2(H2730)b2513+
MFCD03218042
N((1E)2(3NITROPHENYL)1AZAVINYL)2(3(4CHLOROPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Cl)NN=Cc1cccc(c1)(N+)(=O)(O)
ZINC000001874735
ZINC33345687

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Available files

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