Vitas-M small molecule compound

2-{[3-(4-bromophenyl)-4-oxo-3,4-dihydroquinazolin-2-yl]sulfanyl}-N'-[(E)-(1-methyl-1H-pyrrol-2-yl)methylidene]acetohydrazide

Catalog ID
STK106955
SMILES O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br)N/N=C/c1cccn1C

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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 C22H18BrN5O2S MW 496.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H18BrN5O2S/c1-27-12-4-5-17(27)13-24-26-20(29)14-31-22-25-19-7-3-2-6-18(19)21(30)28(22)16-10-8-15(23)9-11-16/h2-13H,14H2,1H3,(H,26,29)/b24-13+
InChIKey
MYWQRCZMTDRMDM-ZMOGYAJESA-N
Synonyms
488843-32-9
(E)2((3(4bromophenyl)4oxo34dihydroquinazolin2yl)thio)N((1methyl1Hpyrrol2yl)methylene)acetohydrazide
2((3(4BROMOPHENYL)4OXO34DIHYDROQUINAZOLIN2YL)SULFANYL)N((E)(1METHYL1HPYRROL2YL)METHYLIDENE)ACETOHYDRAZIDE
2(3(4BROMOPHENYL)4OXOQUINAZOLIN2YL)SULFANYLN((E)(1METHYLPYRROL2YL)METHYLIDENEAMINO)ACETAMIDE
488843329
CN1C=CC=C1C=NNC(=O)CSC2=NC3=CC=CC=C3C(=O)N2C4=CC=C(C=C4)Br
InChI=1SC22H18BrN5O2Sc127124517(27)13242620(29)1431222519732618(19)21(30)28(22)1610815(23)91116h213H14H21H3(H2629)b2413+
MFCD03218876
N((1E)2(1METHYLPYRROL2YL)1AZAVINYL)2(3(4BROMOPHENYL)4OXO(3HYDROQUINAZOLIN2YLTHIO))ACETAMIDE
O=C(CSc1nc2ccccc2c(=O)n1c1ccc(cc1)Br)NN=Cc1cccn1C
ZINC000001296463
ZINC33333500

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Available files

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