Vitas-M small molecule compound

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

Catalog ID
STK025188
SMILES Clc1cccc(c1)N1CCN(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 C19H21ClN6O3 MW 416.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21ClN6O3/c1-22-17-16(18(28)23(2)19(22)29)26(12-21-17)11-15(27)25-8-6-24(7-9-25)14-5-3-4-13(20)10-14/h3-5,10,12H,6-9,11H2,1-2H3
InChIKey
GJFFNQLXMNOKFK-UHFFFAOYSA-N
Synonyms
349400-55-1
349400551
7(2(4(3CHLOROPHENYL)1PIPERAZINYL)2OXOETHYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
7(2(4(3chlorophenyl)piperazin1yl)2oxoethyl)13dimethyl1Hpurine26(3H7H)dione
7(2(4(3CHLOROPHENYL)PIPERAZIN1YL)2OXOETHYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
7(2(4(3CHLOROPHENYL)PIPERAZIN1YL)2OXOETHYL)13DIMETHYLPURINE26DIONE
7(2(4(3CHLOROPHENYL)PIPERAZINYL)2OXOETHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
Clc1cccc(c1)N1CCN(CC1)C(=O)Cn1cnc2c1c(=O)n(C)c(=O)n2C
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC(=O)N3CCN(CC3)C4=CC(=CC=C4)Cl
InChI=1SC19H21ClN6O3c1221716(18(28)23(2)19(22)29)26(122117)1115(27)258624(7925)1453413(20)1014h351012H6911H212H3
MFCD02211000
STK025188
ZINC000000851782
ZINC00851782
ZINC851782

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Available files

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