Vitas-M small molecule compound

2-[2-(acetylamino)-2-deoxyhexopyranosyl]-5-(4-methylphenyl)-4-pentyl-2,4-dihydro-3H-1,2,4-triazole-3-thione

Catalog ID
STL480749
SMILES CCCCCn1c(nn(c1=S)C1OC(CO)C(C(C1NC(=O)C)O)O)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 C22H32N4O5S MW 464.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H32N4O5S/c1-4-5-6-11-25-20(15-9-7-13(2)8-10-15)24-26(22(25)32)21-17(23-14(3)28)19(30)18(29)16(12-27)31-21/h7-10,16-19,21,27,29-30H,4-6,11-12H2,1-3H3,(H,23,28)
InChIKey
LSWLCCRXZBVDSY-UHFFFAOYSA-N
Synonyms

2(2(acetylamino)2deoxyhexopyranosyl)5(4methylphenyl)4pentyl24dihydro3H124triazole3thione
CCCCCN1C(=NN(C1=S)C2C(C(C(C(O2)CO)O)O)NC(=O)C)C3=CC=C(C=C3)C
InChI=1SC22H32N4O5Sc1456112520(159713(2)81015)2426(22(25)32)2117(2314(3)28)19(30)18(29)16(1227)3121h710161921272930H461112H213H3(H2328)
MFCD30713171
N(45dihydroxy6(hydroxymethyl)2(3(4methylphenyl)4pentyl5sulfanylidene124triazol1yl)oxan3yl)acetamide
ZINC000334160756
ZINC000334160759

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Available files

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