Vitas-M small molecule compound
N-[1-(4-ethyl-5-{[(4-oxo-3,4-dihydroquinazolin-2-yl)methyl]sulfanyl}-4H-1,2,4-triazol-3-yl)ethyl]benzamide
Catalog ID
STK218563
SMILES CCn1c(SCc2nc3ccccc3c(=O)[nH]2)nnc1C(NC(=O)c1ccccc1)C
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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 C22H22N6O2S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N6O2S/c1-3-28-19(14(2)23-20(29)15-9-5-4-6-10-15)26-27-22(28)31-13-18-24-17-12-8-7-11-16(17)21(30)25-18/h4-12,14H,3,13H2,1-2H3,(H,23,29)(H,24,25,30)InChIKey
JBMOSOGVSVKKPC-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC2=NC(=O)C3=CC=CC=C3N2)C(C)NC(=O)C4=CC=CC=C4
CCn1c(SCc2nc3ccccc3c(=O)(nH)2)nnc1C(NC(=O)c1ccccc1)C
InChI=1SC22H22N6O2Sc132819(14(2)2320(29)1595461015)262722(28)311318241712871116(17)21(30)2518h41214H313H212H3(H2329)(H242530)
MFCD07189176
N(1(4ETHYL5(((4OXO34DIHYDROQUINAZOLIN2YL)METHYL)SULFANYL)4H124TRIAZOL3YL)ETHYL)BENZAMIDE
N(1(4ETHYL5((4OXO1HQUINAZOLIN2YL)METHYLSULFANYL)124TRIAZOL3YL)ETHYL)BENZAMIDE
ZINC000018219723
ZINC000018219725
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