Vitas-M small molecule compound
2-[2-(acetylamino)-2-deoxy-beta-D-glucopyranosyl]-4-pentyl-5-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL536382
SMILES CCCCCn1c(nn(c1=S)[C@@H]1O[C@H](CO)[C@H]([C@@H]([C@H]1NC(=O)C)O)O)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 C21H30N4O5S MW 450.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O5S/c1-3-4-8-11-24-19(14-9-6-5-7-10-14)23-25(21(24)31)20-16(22-13(2)27)18(29)17(28)15(12-26)30-20/h5-7,9-10,15-18,20,26,28-29H,3-4,8,11-12H2,1-2H3,(H,22,27)/t15-,16-,17-,18-,20-/m1/s1InChIKey
HIPCFDOXSJAFBS-HGJKNBTDSA-NSynonyms
1225055-34-4~(N)((2~(R)3~(R)4~(R)5~(S)6~(R))45dihydroxy6(hydroxymethyl)2(4pentyl3phenyl5sulfanylidene124triazol1yl)oxan3yl)acetamide
1225055344
2(2(acetylamino)2deoxybetaDglucopyranosyl)4pentyl5phenyl24dihydro3H124triazole3thione
22696303
CCCCCn1c(nn(c1=S)(C@@H)1O(C@H)(CO)(C@H)((C@@H)((C@H)1NC(=O)C)O)O)c1ccccc1
InChI=1SC21H30N4O5Sc1348112419(1496571014)2325(21(24)31)2016(2213(2)27)18(29)17(28)15(1226)3020h57910151820262829H3481112H212H3(H2227)t1516171820m1s1
MFCD10630835
N((2R3R4R5S6R)45DIHYDROXY6(HYDROXYMETHYL)2(4PENTYL3PHENYL5SULFANYLIDENE45DIHYDRO1H124TRIAZOL1YL)OXAN3YL)ACETAMIDE
N((2R3R4R5S6R)45dihydroxy6(hydroxymethyl)2(4pentyl3phenyl5thioxo45dihydro1H124triazol1yl)tetrahydro2Hpyran3yl)acetamide
ZINC000012898861
ZINC12898861
Check stock
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Check stock on Vitas-MAvailable files
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