Vitas-M small molecule compound

4-ethyl-5-[(4-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thio-beta-D-glucopyranoside

Catalog ID
STL535423
SMILES CCn1c(nnc1COc1ccc(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 C26H34N4O9S MW 578.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H34N4O9S/c1-7-30-21(13-36-19-10-8-14(2)9-11-19)28-29-26(30)40-25-22(27-15(3)31)24(38-18(6)34)23(37-17(5)33)20(39-25)12-35-16(4)32/h8-11,20,22-25H,7,12-13H2,1-6H3,(H,27,31)/t20-,22-,23-,24-,25+/m1/s1
InChIKey
BAGALEQQJQOATL-MRPKTGBJSA-N
Synonyms
1014040-78-8
((2~(R)3~(S)4~(R)5~(R)6~(S))5acetamido34diacetyloxy6((4ethyl5((4methylphenoxy)methyl)124triazol3yl)sulfanyl)oxan2yl)methylacetate
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4ethyl5((ptolyloxy)methyl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
1014040788
17572090
4ethyl5((4methylphenoxy)methyl)4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiobetaDglucopyranoside
CCn1c(nnc1COc1ccc(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=1SC26H34N4O9Sc173021(13361910814(2)91119)282926(30)402522(2715(3)31)24(3818(6)34)23(3717(5)33)20(3925)123516(4)32h811202225H71213H216H3(H2731)t2022232425+m1s1
MFCD09843767
ZINC000070712262
ZINC70712262

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Available files

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