Vitas-M small molecule compound

[8-(4-ethylpiperazin-1-yl)-6-hydroxy-3-methyl-2-oxo-2,3-dihydro-7H-purin-7-yl]acetic acid

Catalog ID
STK937637
SMILES CCN1CCN(CC1)c1nc2c(n1CC(=O)O)c(O)nc(=O)n2C

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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 C14H20N6O4 MW 336.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H20N6O4/c1-3-18-4-6-19(7-5-18)13-15-11-10(20(13)8-9(21)22)12(23)16-14(24)17(11)2/h3-8H2,1-2H3,(H,21,22)(H,16,23,24)
InChIKey
ZCTOKPKTAVWKSW-UHFFFAOYSA-N
Synonyms
1021125-73-4
(8(4ethylpiperazin1yl)6hydroxy3methyl2oxo23dihydro7Hpurin7yl)aceticacid
1021125734
2(8(4ETHYLPIPERAZIN1YL)3METHYL26DIOXO23DIHYDRO1HPURIN7(6H)YL)ACETICACID
2(8(4ethylpiperazin1yl)3methyl26dioxopurin7yl)aceticacid
CCN1CCN(CC1)C2=NC3=C(N2CC(=O)O)C(=O)NC(=O)N3C
InChI=1SC14H20N6O4c13184619(7518)13151110(20(13)89(21)22)12(23)1614(24)17(11)2h38H212H3(H2122)(H162324)
MFCD18178733
ZINC000011693951
ZINC11693951

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.