Vitas-M small molecule compound

2-cyano-N-(4-oxo-2-thioxo-1,4-dihydroquinazolin-3(2H)-yl)acetamide

Catalog ID
STL144630
SMILES N#CCC(=O)Nn1c(=S)[nH]c2c(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 C11H8N4O2S MW 260.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H8N4O2S/c12-6-5-9(16)14-15-10(17)7-3-1-2-4-8(7)13-11(15)18/h1-4H,5H2,(H,13,18)(H,14,16)
InChIKey
LWPIDONEXXMZLL-UHFFFAOYSA-N
Synonyms
451463-41-5
2CYANON(4OXO2SULFANYLIDENE1HQUINAZOLIN3YL)ACETAMIDE
2cyanoN(4oxo2thioxo14dihydroquinazolin3(2H)yl)acetamide
451463415
C1=CC=C2C(=C1)C(=O)N(C(=S)N2)NC(=O)CC#N
InChI=1SC11H8N4O2Sc12659(16)141510(17)731248(7)1311(15)18h14H5H2(H1318)(H1416)
MFCD05024414
N#CCC(=O)Nn1c(=S)(nH)c2c(c1=O)cccc2
ZINC000000425046
ZINC425046

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Available files

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