Vitas-M small molecule compound
{2-bromo-6-methoxy-4-[(E)-2-(5-nitro-2,6-dioxo-1,2,3,6-tetrahydropyrimidin-4-yl)ethenyl]phenoxy}acetic acid
Catalog ID
STK287126
SMILES COc1cc(/C=C/c2[nH]c(=O)[nH]c(=O)c2[N+](=O)[O-])cc(c1OCC(=O)O)Br
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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 C15H12BrN3O8 MW 442.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H12BrN3O8/c1-26-10-5-7(4-8(16)13(10)27-6-11(20)21)2-3-9-12(19(24)25)14(22)18-15(23)17-9/h2-5H,6H2,1H3,(H,20,21)(H2,17,18,22,23)/b3-2+InChIKey
YIGAIWYPNZEBRQ-NSCUHMNNSA-NSynonyms
827009-38-1(2bromo6methoxy4((E)2(5nitro26dioxo1236tetrahydropyrimidin4yl)ethenyl)phenoxy)aceticacid
(E)2(2bromo6methoxy4(2(5nitro26dioxo1236tetrahydropyrimidin4yl)vinyl)phenoxy)aceticacid
827009381
COC1=C(C(=CC(=C1)C=CC2=C(C(=O)NC(=O)N2)(N+)(=O)(O))Br)OCC(=O)O
COc1cc(C=Cc2(nH)c(=O)(nH)c(=O)c2(N+)(=O)(O))cc(c1OCC(=O)O)Br
InChI=1SC15H12BrN3O8c1261057(48(16)13(10)27611(20)21)23912(19(24)25)14(22)1815(23)179h25H6H21H3(H2021)(H217182223)b32+
MFCD06623767
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