Vitas-M small molecule compound

4-methyl-5-[(3-methylphenoxy)methyl]-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside

Catalog ID
STL553715
SMILES CC(=O)OCC1OC(Sc2nnc(n2C)COc2cccc(c2)C)C(C(C1OC(=O)C)OC(=O)C)NC(=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 C25H32N4O9S MW 564.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O9S/c1-13-8-7-9-18(10-13)35-12-20-27-28-25(29(20)6)39-24-21(26-14(2)30)23(37-17(5)33)22(36-16(4)32)19(38-24)11-34-15(3)31/h7-10,19,21-24H,11-12H2,1-6H3,(H,26,30)
InChIKey
YTBVPOCZQCDXAS-UHFFFAOYSA-N
Synonyms

(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4methyl5((mtolyloxy)methyl)4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
(5acetamido34diacetyloxy6((4methyl5((3methylphenoxy)methyl)124triazol3yl)sulfanyl)oxan2yl)methylacetate
45371543
4methyl5((3methylphenoxy)methyl)4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiohexopyranoside
CC(=O)OC(C@H)1O(C@@H)(Sc2nnc(n2C)COc2cccc(c2)C)(C@@H)((C@H)((C@@H)1OC(=O)C)OC(=O)C)NC(=O)C
InChI=1SC25H32N4O9Sc11387918(1013)351220272825(29(20)6)392421(2614(2)30)23(3717(5)33)22(3616(4)32)19(3824)113415(3)31h710192124H1112H216H3(H2630)
MFCD31750825
ZINC000248113089
ZINC000248113093
ZINC000248113097

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Available files

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