Vitas-M small molecule compound
(1R,2R,5S)-2-[3-(4-amino-1,2,5-oxadiazol-3-yl)-4-ethyl-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
STK783189
SMILES CCn1c(nn(c1=S)[C@@H]1CC(=O)[C@@H]2O[C@H]1CO2)c1nonc1N
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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 C12H14N6O4S MW 338.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H14N6O4S/c1-2-17-10(8-9(13)16-22-15-8)14-18(12(17)23)5-3-6(19)11-20-4-7(5)21-11/h5,7,11H,2-4H2,1H3,(H2,13,16)/t5-,7+,11+/m1/s1InChIKey
MCBKLJQAAHORMW-BQULIXMISA-NSynonyms
(1R2R5S)2(3(4amino125oxadiazol3yl)4ethyl5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
(1R2R5S)2(3(4amino125oxadiazol3yl)4ethyl5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
CCN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)C4=NON=C4N
CCn1c(nn(c1=S)(C@@H)1CC(=O)(C@@H)2O(C@H)1CO2)c1nonc1N
InChI=1SC12H14N6O4Sc121710(89(13)1622158)1418(12(17)23)536(19)112047(5)2111h5711H24H21H3(H21316)t57+11+m1s1
MFCD13372234
ZINC000012413660
ZINC12413660
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