Vitas-M small molecule compound

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

Catalog ID
STK933564
SMILES OC(=O)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCN(CC1)c1ccccc1

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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 C18H20N6O4 MW 384.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O4/c1-21-15-14(16(27)20-18(21)28)24(11-13(25)26)17(19-15)23-9-7-22(8-10-23)12-5-3-2-4-6-12/h2-6H,7-11H2,1H3,(H,25,26)(H,20,27,28)
InChIKey
YAFMECPVMLMNLA-UHFFFAOYSA-N
Synonyms
946212-57-3
(6hydroxy3methyl2oxo8(4phenylpiperazin1yl)23dihydro7Hpurin7yl)aceticacid
2(3METHYL26DIOXO8(4PHENYLPIPERAZIN1YL)23DIHYDRO1HPURIN7(6H)YL)ACETICACID
2(3methyl26dioxo8(4phenylpiperazin1yl)purin7yl)aceticacid
946212573
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCN(CC3)C4=CC=CC=C4)CC(=O)O
InChI=1SC18H20N6O4c1211514(16(27)2018(21)28)24(1113(25)26)17(1915)239722(81023)125324612h26H711H21H3(H2526)(H202728)
MFCD18177545
ZINC000012443287
ZINC12443287

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Available files

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