Vitas-M small molecule compound
2-{[4-amino-5-(5-methyl-1H-pyrazol-3-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(morpholin-4-yl)ethanone
Catalog ID
STK598435
SMILES O=C(N1CCOCC1)CSc1nnc(n1N)c1cc([nH]n1)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 C12H17N7O2S MW 323.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H17N7O2S/c1-8-6-9(15-14-8)11-16-17-12(19(11)13)22-7-10(20)18-2-4-21-5-3-18/h6H,2-5,7,13H2,1H3,(H,14,15)InChIKey
CFJAMYKEXIEYCC-UHFFFAOYSA-NSynonyms
879458-00-12((4amino5(3methyl1Hpyrazol5yl)4H124triazol3yl)thio)1morpholinoethanone
2((4AMINO5(5METHYL1HPYRAZOL3YL)124TRIAZOL3YL)SULFANYL)1MORPHOLIN4YLETHANONE
2((4amino5(5methyl1Hpyrazol3yl)4H124triazol3yl)sulfanyl)1(morpholin4yl)ethanone
879458001
CC1=CC(=NN1)C2=NN=C(N2N)SCC(=O)N3CCOCC3
InChI=1SC12H17N7O2Sc1869(15148)11161712(19(11)13)22710(20)1824215318h6H25713H21H3(H1415)
MFCD07202451
O=C(N1CCOCC1)CSc1nnc(n1N)c1(nH)nc(c1)C
O=C(N1CCOCC1)CSc1nnc(n1N)c1cc((nH)n1)C
ZINC000009110783
ZINC09110783
ZINC9110783
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