Vitas-M small molecule compound
(1R,2R,5S)-2-[4-ethyl-3-(2-methylfuran-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
STK783190
SMILES CCn1c(nn(c1=S)[C@@H]1CC(=O)[C@@H]2O[C@H]1CO2)c1ccoc1C
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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 C15H17N3O4S MW 335.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H17N3O4S/c1-3-17-13(9-4-5-20-8(9)2)16-18(15(17)23)10-6-11(19)14-21-7-12(10)22-14/h4-5,10,12,14H,3,6-7H2,1-2H3/t10-,12+,14+/m1/s1InChIKey
JTGAHXIGXRIDPC-OSMZGAPFSA-NSynonyms
(1R2R5S)2(4ethyl3(2methylfuran3yl)5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1R2R5S)2(4ethyl3(2methylfuran3yl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CCN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=C(OC=C4)C
CCn1c(nn(c1=S)(C@@H)1CC(=O)(C@@H)2O(C@H)1CO2)c1ccoc1C
InChI=1SC15H17N3O4Sc131713(945208(9)2)1618(15(17)23)10611(19)1421712(10)2214h45101214H367H212H3t1012+14+m1s1
MFCD13372235
ZINC000004745191
ZINC04745191
ZINC4745191
Check stock
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