Vitas-M small molecule compound
(1R,2R,5S)-2-{4-ethyl-3-[(5-phenyl-2H-tetrazol-2-yl)methyl]-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
STK780551
SMILES CCn1c(Cn2nnc(n2)c2ccccc2)nn(c1=S)[C@@H]1CC(=O)[C@@H]2O[C@H]1CO2
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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 C18H19N7O3S MW 413.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N7O3S/c1-2-23-15(9-24-21-16(19-22-24)11-6-4-3-5-7-11)20-25(18(23)29)12-8-13(26)17-27-10-14(12)28-17/h3-7,12,14,17H,2,8-10H2,1H3/t12-,14+,17+/m1/s1InChIKey
YNUJFARSOSVFDY-IFIJOSMWSA-NSynonyms
(1R2R5S)2(4ethyl3((5phenyl2Htetrazol2yl)methyl)5thioxo45dihydro1H124triazol1yl)68dioxabicyclo(321)octan4one(nonpreferredname)
(1R2R5S)2(4ethyl3((5phenyltetrazol2yl)methyl)5sulfanylidene124triazol1yl)68dioxabicyclo(321)octan4one
CCN1C(=NN(C1=S)C2CC(=O)C3OCC2O3)CN4N=C(N=N4)C5=CC=CC=C5
CCn1c(Cn2nnc(n2)c2ccccc2)nn(c1=S)(C@@H)1CC(=O)(C@@H)2O(C@H)1CO2
InChI=1SC18H19N7O3Sc122315(9242116(192224)116435711)2025(18(23)29)12813(26)17271014(12)2817h37121417H2810H21H3t1214+17+m1s1
MFCD13372221
ZINC000001431649
ZINC01431649
ZINC1431649
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