Vitas-M small molecule compound

8-[(1,3-benzodioxol-5-ylmethyl)amino]-7-(2-chlorobenzyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK072013
SMILES Clc1ccccc1Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C

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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 C22H20ClN5O4 MW 453.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20ClN5O4/c1-26-19-18(20(29)27(2)22(26)30)28(11-14-5-3-4-6-15(14)23)21(25-19)24-10-13-7-8-16-17(9-13)32-12-31-16/h3-9H,10-12H2,1-2H3,(H,24,25)
InChIKey
FMZCVPXTMSKFOP-UHFFFAOYSA-N
Synonyms
304880-66-8
304880668
8((13BENZODIOXOL5YLMETHYL)AMINO)7(2CHLOROBENZYL)13DIMETHYL37DIHYDRO1HPURINE26DIONE
8((benzo(d)(13)dioxol5ylmethyl)amino)7(2chlorobenzyl)13dimethyl1Hpurine26(3H7H)dione
8(13BENZODIOXOL5YLMETHYLAMINO)7((2CHLOROPHENYL)METHYL)13DIMETHYLPURINE26DIONE
Clc1ccccc1Cn1c(NCc2ccc3c(c2)OCO3)nc2c1c(=O)n(c(=O)n2C)C
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC4=C(C=C3)OCO4)CC5=CC=CC=C5Cl
InChI=1SC22H20ClN5O4c1261918(20(29)27(2)22(26)30)28(1114534615(14)23)21(2519)241013781617(913)32123116h39H1012H212H3(H2425)
MFCD01553591
STK072013
ZINC000002345185
ZINC02345185
ZINC2345185

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Available files

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