Vitas-M small molecule compound
2-[2-(acetylamino)-2-deoxyhexopyranosyl]-4-cyclopentyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL553712
SMILES OCC1OC(C(C(C1O)O)NC(=O)C)n1nc(n(c1=S)C1CCCC1)c1ccccc1
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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 C21H28N4O5S MW 448.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H28N4O5S/c1-12(27)22-16-18(29)17(28)15(11-26)30-20(16)25-21(31)24(14-9-5-6-10-14)19(23-25)13-7-3-2-4-8-13/h2-4,7-8,14-18,20,26,28-29H,5-6,9-11H2,1H3,(H,22,27)InChIKey
HJKQNVULGADNMX-UHFFFAOYSA-NSynonyms
~(N)(2(4cyclopentyl3phenyl5sulfanylidene124triazol1yl)45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
2(2(acetylamino)2deoxyhexopyranosyl)4cyclopentyl5phenyl24dihydro3H124triazole3thione
71949886
InChI=1SC21H28N4O5Sc112(27)221618(29)17(28)15(1126)3020(16)2521(31)24(149561014)19(2325)137324813h2478141820262829H56911H21H3(H2227)
MFCD31750822
N((2R3R4R5S6R)2(4cyclopentyl3phenyl5thioxo45dihydro1H124triazol1yl)45dihydroxy6(hydroxymethyl)tetrahydro2Hpyran3yl)acetamide
OC(C@H)1O(C@H)((C@@H)((C@H)((C@@H)1O)O)NC(=O)C)n1nc(n(c1=S)C1CCCC1)c1ccccc1
ZINC000098037141
ZINC000504423801
Check stock
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