Vitas-M small molecule compound
2-[2-(acetylamino)-2-deoxyhexopyranosyl]-5-[(2-methylphenoxy)methyl]-4-(propan-2-yl)-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL480737
SMILES OCC1OC(C(C(C1O)O)NC(=O)C)n1nc(n(c1=S)C(C)C)COc1ccccc1C
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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 C21H30N4O6S MW 466.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N4O6S/c1-11(2)24-16(10-30-14-8-6-5-7-12(14)3)23-25(21(24)32)20-17(22-13(4)27)19(29)18(28)15(9-26)31-20/h5-8,11,15,17-20,26,28-29H,9-10H2,1-4H3,(H,22,27)InChIKey
NHIATKZHLSGCHV-UHFFFAOYSA-NSynonyms
1191420-97-91191420979
2(2(acetylamino)2deoxyhexopyranosyl)5((2methylphenoxy)methyl)4(propan2yl)24dihydro3H124triazole3thione
CC1=CC=CC=C1OCC2=NN(C(=S)N2C(C)C)C3C(C(C(C(O3)CO)O)O)NC(=O)C
InChI=1SC21H30N4O6Sc111(2)2416(103014865712(14)3)2325(21(24)32)2017(2213(4)27)19(29)18(28)15(926)3120h5811151720262829H910H214H3(H2227)
MFCD11993452
N(45dihydroxy6(hydroxymethyl)2(3((2methylphenoxy)methyl)4propan2yl5sulfanylidene124triazol1yl)oxan3yl)acetamide
N(45DIHYDROXY6(HYDROXYMETHYL)2(4ISOPROPYL5THIOXO3((OTOLYLOXY)METHYL)45DIHYDRO1H124TRIAZOL1YL)TETRAHYDRO2HPYRAN3YL)ACETAMIDE
ZINC000035590903
ZINC000104195394
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