Vitas-M small molecule compound
2-[2-(acetylamino)-2-deoxyhexopyranosyl]-4-cyclopropyl-5-(4-methylphenyl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL480739
SMILES OCC1OC(C(C(C1O)O)NC(=O)C)n1nc(n(c1=S)C1CC1)c1ccc(cc1)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 C20H26N4O5S MW 434.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26N4O5S/c1-10-3-5-12(6-4-10)18-22-24(20(30)23(18)13-7-8-13)19-15(21-11(2)26)17(28)16(27)14(9-25)29-19/h3-6,13-17,19,25,27-28H,7-9H2,1-2H3,(H,21,26)InChIKey
QKDWWFITLRLEOY-UHFFFAOYSA-NSynonyms
1191421-00-71191421007
2(2(acetylamino)2deoxyhexopyranosyl)4cyclopropyl5(4methylphenyl)24dihydro3H124triazole3thione
CC1=CC=C(C=C1)C2=NN(C(=S)N2C3CC3)C4C(C(C(C(O4)CO)O)O)NC(=O)C
InChI=1SC20H26N4O5Sc1103512(6410)182224(20(30)23(18)137813)1915(2111(2)26)17(28)16(27)14(925)2919h36131719252728H79H212H3(H2126)
MFCD11993455
N(2(4cyclopropyl3(4methylphenyl)5sulfanylidene124triazol1yl)45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
N(2(4CYCLOPROPYL5THIOXO3(PTOLYL)45DIHYDRO1H124TRIAZOL1YL)45DIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN3YL)ACETAMIDE
ZINC000035590919
ZINC000104195421
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