Vitas-M small molecule compound

5-(4-methylphenyl)-4-(prop-2-en-1-yl)-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside

Catalog ID
STL540536
SMILES C=CCn1c(nnc1c1ccc(cc1)C)S[C@@H]1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1NC(=O)C)OC(=O)C)OC(=O)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 C26H32N4O8S MW 560.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N4O8S/c1-7-12-30-24(19-10-8-14(2)9-11-19)28-29-26(30)39-25-21(27-15(3)31)23(37-18(6)34)22(36-17(5)33)20(38-25)13-35-16(4)32/h7-11,20-23,25H,1,12-13H2,2-6H3,(H,27,31)/t20-,21-,22-,23-,25+/m1/s1
InChIKey
IRSUOKQJASGJOR-GAQRMDFMSA-N
Synonyms
1014062-59-9
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6((5(4methylphenyl)4prop2enyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4allyl5(ptolyl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
1014062599
17571970
5(4methylphenyl)4(prop2en1yl)4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
C=CCn1c(nnc1c1ccc(cc1)C)S(C@@H)1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1NC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC26H32N4O8Sc17123024(1910814(2)91119)282926(30)392521(2715(3)31)23(3718(6)34)22(3617(5)33)20(3825)133516(4)32h711202325H11213H226H3(H2731)t2021222325+m1s1
MFCD09843635
ZINC000070712228
ZINC70712228

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.