Vitas-M small molecule compound

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

Catalog ID
STK932893
SMILES OC(=O)Cn1c(nc2c1c(O)nc(=O)n2C)N1CCC(CC1)Cc1ccccc1

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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 C20H23N5O4 MW 397.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H23N5O4/c1-23-17-16(18(28)22-20(23)29)25(12-15(26)27)19(21-17)24-9-7-14(8-10-24)11-13-5-3-2-4-6-13/h2-6,14H,7-12H2,1H3,(H,26,27)(H,22,28,29)
InChIKey
QARBDWRSIPIJAN-UHFFFAOYSA-N
Synonyms
946273-04-7
(8(4benzylpiperidin1yl)6hydroxy3methyl2oxo23dihydro7Hpurin7yl)aceticacid
2(3METHYL26DIOXO8(4BENZYLPIPERIDYL)137TRIHYDROPURIN7YL)ACETICACID
2(8(4BENZYLPIPERIDIN1YL)3METHYL26DIOXO23DIHYDRO1HPURIN7(6H)YL)ACETICACID
2(8(4benzylpiperidin1yl)3methyl26dioxopurin7yl)aceticacid
946273047
CN1C2=C(C(=O)NC1=O)N(C(=N2)N3CCC(CC3)CC4=CC=CC=C4)CC(=O)O
InChI=1SC20H23N5O4c1231716(18(28)2220(23)29)25(1215(26)27)19(2117)249714(81024)11135324613h2614H712H21H3(H2627)(H222829)
MFCD18177366
ZINC000012443284
ZINC12443284

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Available files

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