Vitas-M small molecule compound
2-[2-(acetylamino)-2-deoxyhexopyranosyl]-5-[(2-chlorophenoxy)methyl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL480738
SMILES OCC1OC(C(C(C1O)O)NC(=O)C)n1nc(n(c1=S)C(C)C)COc1ccccc1Cl
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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 C20H27ClN4O6S MW 486.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27ClN4O6S/c1-10(2)24-15(9-30-13-7-5-4-6-12(13)21)23-25(20(24)32)19-16(22-11(3)27)18(29)17(28)14(8-26)31-19/h4-7,10,14,16-19,26,28-29H,8-9H2,1-3H3,(H,22,27)InChIKey
AWTOOBSHBPSCSV-UHFFFAOYSA-NSynonyms
1191420-98-01191420980
2(2(acetylamino)2deoxyhexopyranosyl)5((2chlorophenoxy)methyl)4(propan2yl)24dihydro3H124triazole3thione
CC(C)N1C(=NN(C1=S)C2C(C(C(C(O2)CO)O)O)NC(=O)C)COC3=CC=CC=C3Cl
InChI=1SC20H27ClN4O6Sc110(2)2415(93013754612(13)21)2325(20(24)32)1916(2211(3)27)18(29)17(28)14(826)3119h4710141619262829H89H213H3(H2227)
MFCD11993453
N(2(3((2CHLOROPHENOXY)METHYL)4ISOPROPYL5THIOXO45DIHYDRO1H124TRIAZOL1YL)45DIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN3YL)ACETAMIDE
N(2(3((2chlorophenoxy)methyl)4propan2yl5sulfanylidene124triazol1yl)45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
ZINC000035590907
ZINC000104195402
Check stock
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