Vitas-M small molecule compound
(1S,2S,5R)-2-[4-(prop-2-en-1-yl)-3-(pyridin-3-yl)-5-thioxo-4,5-dihydro-1H-1,2,4-triazol-1-yl]-6,8-dioxabicyclo[3.2.1]octan-4-one (non-preferred name)
Catalog ID
STK768482
SMILES C=CCn1c(nn(c1=S)[C@H]1CC(=O)[C@H]2O[C@@H]1CO2)c1cccnc1
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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 C16H16N4O3S MW 344.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H16N4O3S/c1-2-6-19-14(10-4-3-5-17-8-10)18-20(16(19)24)11-7-12(21)15-22-9-13(11)23-15/h2-5,8,11,13,15H,1,6-7,9H2/t11-,13+,15+/m0/s1InChIKey
ZDZVRFMWBQBFKA-NJZAAPMLSA-NSynonyms
(1S2S5R)2(4(prop2en1yl)3(pyridin3yl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1S2S5R)2(4PROP2ENYL3PYRIDIN3YL5SULFANYLIDENE124TRIAZOL1YL)68DIOXABICYCLO(321)OCTAN4ONE
C=CCN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=CN=CC=C4
C=CCn1c(nn(c1=S)(C@H)1CC(=O)(C@H)2O(C@@H)1CO2)c1cccnc1
InChI=1SC16H16N4O3Sc1261914(1043517810)1820(16(19)24)11712(21)1522913(11)2315h258111315H1679H2t1113+15+m0s1
MFCD13372142
ZINC000000054404
ZINC00054404
ZINC54404
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