Vitas-M small molecule compound

7-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK868782
SMILES Clc1cc2OCOc2cc1Cn1cnc2c1c(=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 C15H13ClN4O4 MW 348.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H13ClN4O4/c1-18-13-12(14(21)19(2)15(18)22)20(6-17-13)5-8-3-10-11(4-9(8)16)24-7-23-10/h3-4,6H,5,7H2,1-2H3
InChIKey
CKGJIAPZMBJXMT-UHFFFAOYSA-N
Synonyms
353500-69-3
353500693
7((6CHLORO(2HBENZO(34D)13DIOXOLAN5YL))METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
7((6chloro13benzodioxol5yl)methyl)13dimethyl37dihydro1Hpurine26dione
7((6CHLORO13BENZODIOXOL5YL)METHYL)13DIMETHYLPURINE26DIONE
7((6chlorobenzo(d)(13)dioxol5yl)methyl)13dimethyl1Hpurine26(3H7H)dione
CN1C2=C(C(=O)N(C1=O)C)N(C=N2)CC3=CC4=C(C=C3Cl)OCO4
InChI=1SC15H13ClN4O4c1181312(14(21)19(2)15(18)22)20(61713)5831011(49(8)16)2472310h346H57H212H3
MFCD01852998
ZINC000000128383
ZINC00128383
ZINC128383

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Available files

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