Vitas-M small molecule compound

7-{2-[4-(2-methoxyphenyl)piperazin-1-yl]-2-oxoethyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK069634
SMILES COc1ccccc1N1CCN(CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=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 C20H24N6O4 MW 412.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H24N6O4/c1-22-18-17(19(28)23(2)20(22)29)26(13-21-18)12-16(27)25-10-8-24(9-11-25)14-6-4-5-7-15(14)30-3/h4-7,13H,8-12H2,1-3H3
InChIKey
LIBMEJQYRFRCDH-UHFFFAOYSA-N
Synonyms
314042-92-7
314042927
7(2(4(2methoxyphenyl)piperazin1yl)2oxoethyl)13dimethyl1Hpurine26(3H7H)dione
7(2(4(2METHOXYPHENYL)PIPERAZIN1YL)2OXOETHYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
7(2(4(2METHOXYPHENYL)PIPERAZIN1YL)2OXOETHYL)13DIMETHYL37DIHYDROPURINE26DIONE
7(2(4(2METHOXYPHENYL)PIPERAZIN1YL)2OXOETHYL)13DIMETHYLPURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC=CC=C4OC
COc1ccccc1N1CCN(CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
InChI=1SC20H24N6O4c1221817(19(28)23(2)20(22)29)26(132118)1216(27)2510824(91125)14645715(14)303h4713H812H213H3
MFCD01993441
STK069634
ZINC000001191931
ZINC01191931
ZINC1191931

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Available files

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