Vitas-M small molecule compound
4-benzyl-2-(2,3,5-tri-O-acetylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Catalog ID
STL510819
SMILES CC(=O)OC1C(OC(=O)C)C(OC1n1ncc(=O)n(c1=O)Cc1ccccc1)COC(=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 C21H23N3O9 MW 461.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O9/c1-12(25)30-11-16-18(31-13(2)26)19(32-14(3)27)20(33-16)24-21(29)23(17(28)9-22-24)10-15-7-5-4-6-8-15/h4-9,16,18-20H,10-11H2,1-3H3InChIKey
QCGYEFHYQACXPY-UHFFFAOYSA-NSynonyms
(2R3R4R5R)2(acetoxymethyl)5(4benzyl35dioxo45dihydro124triazin2(3H)yl)tetrahydrofuran34diyldiacetate
(34DIACETYLOXY5(4BENZYL35DIOXO124TRIAZIN2YL)OXOLAN2YL)METHYLACETATE
4310059
4benzyl2(235triOacetylpentofuranosyl)124triazine35(2H4H)dione
CC(=O)O(C@@H)1(C@H)(OC(=O)C)(C@H)(O(C@H)1n1ncc(=O)n(c1=O)Cc1ccccc1)COC(=O)C
InChI=1SC21H23N3O9c112(25)30111618(3113(2)26)19(3214(3)27)20(3316)2421(29)23(17(28)92224)10157546815h49161820H1011H213H3
MFCD02030091
ZINC000012659470
ZINC000101995838
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