Vitas-M small molecule compound
4-(2-{[7-(2,4-dichlorobenzyl)-1,3-dimethyl-2,6-dioxo-2,3,6,7-tetrahydro-1H-purin-9-ium-8-yl]amino}ethyl)phenolate
Catalog ID
STL050652
SMILES [O-]c1ccc(cc1)CCNc1[nH+]c2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)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 C22H21Cl2N5O3 MW 474.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21Cl2N5O3/c1-27-19-18(20(31)28(2)22(27)32)29(12-14-5-6-15(23)11-17(14)24)21(26-19)25-10-9-13-3-7-16(30)8-4-13/h3-8,11,30H,9-10,12H2,1-2H3,(H,25,26)InChIKey
MTLQEVJFYWVTDK-UHFFFAOYSA-NSynonyms
848222-70-8(O)c1ccc(cc1)CCNc1(nH+)c2c(n1Cc1ccc(cc1Cl)Cl)c(=O)n(c(=O)n2C)C
4(2((7(24dichlorobenzyl)13dimethyl26dioxo2367tetrahydro1Hpurin9ium8yl)amino)ethyl)phenolate
7((24DICHLOROPHENYL)METHYL)8(2(4HYDROXYPHENYL)ETHYLAMINO)13DIMETHYLPURINE26DIONE
848222708
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCCC3=CC=C(C=C3)O)CC4=C(C=C(C=C4)Cl)Cl
InChI=1SC22H21Cl2N5O3c1271918(20(31)28(2)22(27)32)29(12145615(23)1117(14)24)21(2619)25109133716(30)8413h381130H91012H212H3(H2526)
MFCD04189996
ZINC000001269531
ZINC01269531
ZINC1269531
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