Vitas-M small molecule compound
4-butyl-2-(2,3,5-tri-O-acetylpentofuranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Catalog ID
STK721961
SMILES CCCCn1c(=O)cnn(c1=O)C1OC(C(C1OC(=O)C)OC(=O)C)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 C18H25N3O9 MW 427.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H25N3O9/c1-5-6-7-20-14(25)8-19-21(18(20)26)17-16(29-12(4)24)15(28-11(3)23)13(30-17)9-27-10(2)22/h8,13,15-17H,5-7,9H2,1-4H3InChIKey
QLBKGAOOIWBWNX-UHFFFAOYSA-NSynonyms
(2R3R4R5R)2(acetoxymethyl)5(4butyl35dioxo45dihydro124triazin2(3H)yl)tetrahydrofuran34diyldiacetate
(34DIACETYLOXY5(4BUTYL35DIOXO124TRIAZIN2YL)OXOLAN2YL)METHYLACETATE
4butyl2(235triOacetylpentofuranosyl)124triazine35(2H4H)dione
CCCCN1C(=O)C=NN(C1=O)C2C(C(C(O2)COC(=O)C)OC(=O)C)OC(=O)C
CCCCn1c(=O)cnn(c1=O)(C@@H)1O(C@@H)((C@H)((C@H)1OC(=O)C)OC(=O)C)COC(=O)C
InChI=1SC18H25N3O9c15672014(25)81921(18(20)26)1716(2912(4)24)15(2811(3)23)13(3017)92710(2)22h8131517H579H214H3
MFCD02030093
ZINC000008770561
ZINC000012659247
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