Vitas-M small molecule compound
4-ethyl-5-phenyl-4H-1,2,4-triazol-3-yl 3,4,6-tri-O-acetyl-2-(acetylamino)-2-deoxy-1-thiohexopyranoside
Catalog ID
STL553719
SMILES CCn1c(nnc1c1ccccc1)SC1OC(COC(=O)C)C(C(C1NC(=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 C24H30N4O8S MW 534.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H30N4O8S/c1-6-28-22(17-10-8-7-9-11-17)26-27-24(28)37-23-19(25-13(2)29)21(35-16(5)32)20(34-15(4)31)18(36-23)12-33-14(3)30/h7-11,18-21,23H,6,12H2,1-5H3,(H,25,29)InChIKey
KTNMCEHJGUQNFK-UHFFFAOYSA-NSynonyms
(2R3S4R5R6S)5acetamido2(acetoxymethyl)6((4ethyl5phenyl4H124triazol3yl)thio)tetrahydro2Hpyran34diyldiacetate
(5acetamido34diacetyloxy6((4ethyl5phenyl124triazol3yl)sulfanyl)oxan2yl)methylacetate
45370909
4ethyl5phenyl4H124triazol3yl346triOacetyl2(acetylamino)2deoxy1thiohexopyranoside
CCn1c(nnc1c1ccccc1)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=1SC24H30N4O8Sc162822(17108791117)262724(28)372319(2513(2)29)21(3516(5)32)20(3415(4)31)18(3623)123314(3)30h711182123H612H215H3(H2529)
MFCD31750829
ZINC000249690749
ZINC000249690752
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