Vitas-M small molecule compound
ethyl 4-{2-[bis(6-hydroxy-1,3-dimethyl-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-5-yl)methyl]-4-nitrophenyl}piperazine-1-carboxylate
Catalog ID
STL008454
SMILES CCOC(=O)N1CCN(CC1)c1ccc(cc1C(c1c(O)n(C)c(=O)n(c1=O)C)c1c(O)n(C)c(=O)n(c1=O)C)[N+](=O)[O-]
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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 C26H31N7O10 MW 601.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31N7O10/c1-6-43-26(40)32-11-9-31(10-12-32)16-8-7-14(33(41)42)13-15(16)17(18-20(34)27(2)24(38)28(3)21(18)35)19-22(36)29(4)25(39)30(5)23(19)37/h7-8,13,17,34,36H,6,9-12H2,1-5H3InChIKey
YSPISPJXNPHIDP-UHFFFAOYSA-NSynonyms
1189947-58-71189947587
CCOC(=O)N1CCN(CC1)c1ccc(cc1C(c1c(O)n(C)c(=O)n(c1=O)C)c1c(O)n(C)c(=O)n(c1=O)C)(N+)(=O)(O)
CCOC(=O)N1CCN(CC1)C2=C(C=C(C=C2)(N+)(=O)(O))C(C3=C(N(C(=O)N(C3=O)C)C)O)C4=C(N(C(=O)N(C4=O)C)C)O
ethyl4(2(bis(4hydroxy13dimethyl26dioxopyrimidin5yl)methyl)4nitrophenyl)piperazine1carboxylate
ethyl4(2(bis(6hydroxy13dimethyl24dioxo1234tetrahydropyrimidin5yl)methyl)4nitrophenyl)piperazine1carboxylate
InChI=1SC26H31N7O10c164326(40)3211931(101232)168714(33(41)42)1315(16)17(1820(34)27(2)24(38)28(3)21(18)35)1922(36)29(4)25(39)30(5)23(19)37h7813173436H6912H215H3
MFCD12204225
ZINC000101551691
ZINC101551691
Check stock
See real-time availability and sample size for STL008454 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.