Vitas-M small molecule compound
8-(2-chlorophenoxy)-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK234883
SMILES Clc1ccccc1Oc1nc2c(n1Cc1ccc(cc1)[N+](=O)[O-])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 C20H16ClN5O5 MW 441.83 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16ClN5O5/c1-23-17-16(18(27)24(2)20(23)28)25(11-12-7-9-13(10-8-12)26(29)30)19(22-17)31-15-6-4-3-5-14(15)21/h3-10H,11H2,1-2H3InChIKey
AFNNGMGLEOQHGO-UHFFFAOYSA-NSynonyms
8(2CHLOROPHENOXY)13DIMETHYL7((4NITROPHENYL)METHYL)PURINE26DIONE
8(2CHLOROPHENOXY)13DIMETHYL7(4NITROBENZYL)37DIHYDRO1HPURINE26DIONE
Clc1ccccc1Oc1nc2c(n1Cc1ccc(cc1)(N+)(=O)(O))c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)OC3=CC=CC=C3Cl)CC4=CC=C(C=C4)(N+)(=O)(O)
InChI=1SC20H16ClN5O5c1231716(18(27)24(2)20(23)28)25(11127913(10812)26(29)30)19(2217)3115643514(15)21h310H11H212H3
MFCD08673685
ZINC000009191480
ZINC09191480
ZINC9191480
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