Vitas-M small molecule compound
6-methyl-2-[(2-oxo-2-phenylethyl)sulfanyl]-6,7-dihydro[1,2,4]triazolo[5,1-b]quinazolin-8(5H)-one
Catalog ID
STK356878
SMILES CC1CC(=O)c2c(C1)nc1n(c2)nc(n1)SCC(=O)c1ccccc1
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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 C18H16N4O2S MW 352.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O2S/c1-11-7-14-13(15(23)8-11)9-22-17(19-14)20-18(21-22)25-10-16(24)12-5-3-2-4-6-12/h2-6,9,11H,7-8,10H2,1H3InChIKey
AINKXAAINGCIMA-UHFFFAOYSA-NSynonyms
6methyl2((2oxo2phenylethyl)sulfanyl)67dihydro(124)triazolo(51b)quinazolin8(5H)one
6methyl2phenacylsulfanyl67dihydro5H(124)triazolo(51b)quinazolin8one
CC1CC2=NC3=NC(=NN3C=C2C(=O)C1)SCC(=O)C4=CC=CC=C4
InChI=1SC18H16N4O2Sc11171413(15(23)811)92217(1914)2018(2122)251016(24)125324612h26911H7810H21H3
MFCD09462173
ZINC000016650141
ZINC000016650143
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