Vitas-M small molecule compound
methyl 3-[(cyanoacetyl)amino]-4-oxo-2-thioxo-1,2,3,4-tetrahydroquinazoline-7-carboxylate
Catalog ID
STL144628
SMILES N#CCC(=O)Nn1c(=S)[nH]c2c(c1=O)ccc(c2)C(=O)OC
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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 C13H10N4O4S MW 318.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H10N4O4S/c1-21-12(20)7-2-3-8-9(6-7)15-13(22)17(11(8)19)16-10(18)4-5-14/h2-3,6H,4H2,1H3,(H,15,22)(H,16,18)InChIKey
RNKMZJRFAAROQI-UHFFFAOYSA-NSynonyms
1351398-96-31351398963
COC(=O)C1=CC2=C(C=C1)C(=O)N(C(=S)N2)NC(=O)CC#N
InChI=1SC13H10N4O4Sc12112(20)72389(67)1513(22)17(11(8)19)1610(18)4514h236H4H21H3(H1522)(H1618)
methyl3((2cyanoacetyl)amino)4oxo2sulfanylidene1Hquinazoline7carboxylate
methyl3((cyanoacetyl)amino)4oxo2thioxo1234tetrahydroquinazoline7carboxylate
MFCD20528929
N#CCC(=O)Nn1c(=S)(nH)c2c(c1=O)ccc(c2)C(=O)OC
ZINC000071289291
ZINC71289291
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