Vitas-M small molecule compound
5-phenyl-4-(prop-2-en-1-yl)-2-[3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxyhexopyranosyl]-2,4-dihydro-3H-1,2,4-triazole-3-thione
Catalog ID
STL480731
SMILES C=CCn1c(nn(c1=S)C1OC(COC(=O)C)C(C(C1NC(=O)C)OC(=O)C)OC(=O)C)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 C25H30N4O8S MW 546.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H30N4O8S/c1-6-12-28-23(18-10-8-7-9-11-18)27-29(25(28)38)24-20(26-14(2)30)22(36-17(5)33)21(35-16(4)32)19(37-24)13-34-15(3)31/h6-11,19-22,24H,1,12-13H2,2-5H3,(H,26,30)InChIKey
UGVIJZOVLNTHRT-UHFFFAOYSA-NSynonyms
(5acetamido34diacetyloxy6(3phenyl4prop2enyl5sulfanylidene124triazol1yl)oxan2yl)methylacetate
5phenyl4(prop2en1yl)2(346triOacetyl2(acetylamino)2deoxyhexopyranosyl)24dihydro3H124triazole3thione
CC(=O)NC1C(C(C(OC1N2C(=S)N(C(=N2)C3=CC=CC=C3)CC=C)COC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC25H30N4O8Sc16122823(18108791118)2729(25(28)38)2420(2614(2)30)22(3617(5)33)21(3516(4)32)19(3724)133415(3)31h611192224H11213H225H3(H2630)
MFCD30713162
ZINC000334161123
ZINC000334161126
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