Vitas-M small molecule compound

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

Catalog ID
STK568228
SMILES COc1ccc(cc1)n1c(SCC(=O)N/N=C/c2ccc(cc2)[N+](=O)[O-])nc2c(c1=O)cccc2

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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 C24H19N5O5S MW 489.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H19N5O5S/c1-34-19-12-10-17(11-13-19)28-23(31)20-4-2-3-5-21(20)26-24(28)35-15-22(30)27-25-14-16-6-8-18(9-7-16)29(32)33/h2-14H,15H2,1H3,(H,27,30)/b25-14+
InChIKey
CFZNQICWOBZYAI-AFUMVMLFSA-N
Synonyms
612828-41-8
(E)2((3(4methoxyphenyl)4oxo34dihydroquinazolin2yl)thio)N(4nitrobenzylidene)acetohydrazide
2((3(4methoxyphenyl)4oxo34dihydroquinazolin2yl)sulfanyl)N((E)(4nitrophenyl)methylidene)acetohydrazide
2(3(4METHOXYPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((E)(4NITROPHENYL)METHYLIDENEAMINO)ACETAMIDE
612828418
COC1=CC=C(C=C1)N2C(=O)C3=CC=CC=C3N=C2SCC(=O)NN=CC4=CC=C(C=C4)(N+)(=O)(O)
COc1ccc(cc1)n1c(SCC(=O)NN=Cc2ccc(cc2)(N+)(=O)(O))nc2c(c1=O)cccc2
InChI=1SC24H19N5O5Sc13419121017(111319)2823(31)20423521(20)2624(28)351522(30)272514166818(9716)29(32)33h214H15H21H3(H2730)b2514+
MFCD03222625
N((1E)2(4NITROPHENYL)1AZAVINYL)2(3(4METHOXYPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
ZINC000001772611
ZINC33343159

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Available files

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