Vitas-M small molecule compound

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

Catalog ID
STK722830
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)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 C24H19N5O4S MW 473.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O4S/c1-16-9-11-18(12-10-16)28-23(31)20-7-2-3-8-21(20)26-24(28)34-15-22(30)27-25-14-17-5-4-6-19(13-17)29(32)33/h2-14H,15H2,1H3,(H,27,30)/b25-14-
InChIKey
LBRHLIISWKNOBX-QFEZKATASA-N
Synonyms
105491-25-6
(Z)N(3nitrobenzylidene)2((4oxo3(ptolyl)34dihydroquinazolin2yl)thio)acetohydrazide
105491256
2((3(4methylphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((Z)(3nitrophenyl)methylidene)acetohydrazide
2(3(4METHYLPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((Z)(3NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
CC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC(=CC=C4)(N+)(=O)(O)
InChI=1SC24H19N5O4Sc11691118(121016)2823(31)20723821(20)2624(28)341522(30)2725141754619(1317)29(32)33h214H15H21H3(H2730)b2514
MFCD03217580
N((1Z)2(3NITROPHENYL)1AZAVINYL)2(3(4METHYLPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)C)NN=Cc1cccc(c1)(N+)(=O)(O)
ZINC000031892873
ZINC1310900

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Available files

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