Vitas-M small molecule compound
4-(4-methoxy-3-nitrobenzyl)-2-(2,3,4,6-tetra-O-acetyl-D-glucopyranosyl)-1,2,4-triazine-3,5(2H,4H)-dione
Catalog ID
STL524939
SMILES COc1ccc(cc1[N+](=O)[O-])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 C25H28N4O14 MW 608.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H28N4O14/c1-12(30)39-11-19-21(40-13(2)31)22(41-14(3)32)23(42-15(4)33)24(43-19)28-25(35)27(20(34)9-26-28)10-16-6-7-18(38-5)17(8-16)29(36)37/h6-9,19,21-24H,10-11H2,1-5H3/t19-,21-,22+,23-,24?/m1/s1InChIKey
FQDBJBNMFAUXJY-KKEQRHKBSA-NSynonyms
((2~(R)3~(R)4~(S)5~(R))345triacetyloxy6(4((4methoxy3nitrophenyl)methyl)35dioxo124triazin2yl)oxan2yl)methylacetate
(2R3R4S5R)2(acetoxymethyl)6(4(4methoxy3nitrobenzyl)35dioxo45dihydro124triazin2(3H)yl)tetrahydro2Hpyran345triyltriacetate
16396815
4(4methoxy3nitrobenzyl)2(2346tetraOacetylDglucopyranosyl)124triazine35(2H4H)dione
COc1ccc(cc1(N+)(=O)(O))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=1SC25H28N4O14c112(30)39111921(4013(2)31)22(4114(3)32)23(4215(4)33)24(4319)2825(35)27(20(34)92628)10166718(385)17(816)29(36)37h69192124H1011H215H3t192122+2324?m1s1
MFCD02059130
ZINC000070670043
ZINC000070670044
Check stock
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Check stock on Vitas-MAvailable files
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