Vitas-M small molecule compound
4-(3-bromo-4-methoxybenzyl)-2-(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Catalog ID
STL524421
SMILES COc1ccc(cc1Br)Cn1c(=O)cnn(c1=O)C1O[C@H](COC(=O)C)[C@H]([C@@H]([C@H]1OC(=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 C25H28BrN3O12 MW 642.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28BrN3O12/c1-12(30)37-11-19-21(38-13(2)31)22(39-14(3)32)23(40-15(4)33)24(41-19)29-25(35)28(20(34)9-27-29)10-16-6-7-18(36-5)17(26)8-16/h6-9,19,21-24H,10-11H2,1-5H3/t19-,21-,22+,23-,24?/m1/s1InChIKey
QAIRZTMCRBBBNB-KKEQRHKBSA-NSynonyms
((2~(R)3~(R)4~(S)5~(R))345triacetyloxy6(4((3bromo4methoxyphenyl)methyl)35dioxo124triazin2yl)oxan2yl)methylacetate
(2R3R4S5R)2(acetoxymethyl)6(4(3bromo4methoxybenzyl)35dioxo45dihydro124triazin2(3H)yl)tetrahydro2Hpyran345triyltriacetate
16396615
4(3bromo4methoxybenzyl)2(2346tetraOacetylDglucopyranosyl)124triazine35(2H4H)dione
COc1ccc(cc1Br)Cn1c(=O)cnn(c1=O)C1O(C@H)(COC(=O)C)(C@H)((C@@H)((C@H)1OC(=O)C)OC(=O)C)OC(=O)C
InChI=1SC25H28BrN3O12c112(30)37111921(3813(2)31)22(3914(3)32)23(4015(4)33)24(4119)2925(35)28(20(34)92729)10166718(365)17(26)816h69192124H1011H215H3t192122+2324?m1s1
MFCD02057119
ZINC000079204182
ZINC000079204185
Check stock
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Check stock on Vitas-MAvailable files
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