Vitas-M small molecule compound
2-[2-(acetylamino)-2-deoxyhexopyranosyl]-5-(2-chlorophenyl)-4-phenyl-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL480730
SMILES OCC1OC(C(C(C1O)O)NC(=O)C)n1nc(n(c1=S)c1ccccc1)c1ccccc1Cl
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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 C22H23ClN4O5S MW 490.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H23ClN4O5S/c1-12(29)24-17-19(31)18(30)16(11-28)32-21(17)27-22(33)26(13-7-3-2-4-8-13)20(25-27)14-9-5-6-10-15(14)23/h2-10,16-19,21,28,30-31H,11H2,1H3,(H,24,29)InChIKey
LOTOICNGVBFNOO-UHFFFAOYSA-NSynonyms
1191420-96-81191420968
2(2(acetylamino)2deoxyhexopyranosyl)5(2chlorophenyl)4phenyl24dihydro3H124triazole3thione
CC(=O)NC1C(C(C(OC1N2C(=S)N(C(=N2)C3=CC=CC=C3Cl)C4=CC=CC=C4)CO)O)O
InChI=1SC22H23ClN4O5Sc112(29)241719(31)18(30)16(1128)3221(17)2722(33)26(137324813)20(2527)149561015(14)23h210161921283031H11H21H3(H2429)
MFCD11993448
N(2(3(2chlorophenyl)4phenyl5sulfanylidene124triazol1yl)45dihydroxy6(hydroxymethyl)oxan3yl)acetamide
N(2(3(2CHLOROPHENYL)4PHENYL5THIOXO45DIHYDRO1H124TRIAZOL1YL)45DIHYDROXY6(HYDROXYMETHYL)TETRAHYDRO2HPYRAN3YL)ACETAMIDE
ZINC000035590876
ZINC000104195361
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