Vitas-M small molecule compound

8-chloro-1,3-dimethyl-7-(4-nitrobenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK763621
SMILES [O-][N+](=O)c1ccc(cc1)Cn1c(Cl)nc2c1c(=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 C14H12ClN5O4 MW 349.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H12ClN5O4/c1-17-11-10(12(21)18(2)14(17)22)19(13(15)16-11)7-8-3-5-9(6-4-8)20(23)24/h3-6H,7H2,1-2H3
InChIKey
XKRHRNHJGNHEPT-UHFFFAOYSA-N
Synonyms
1604-79-1
(O)(N+)(=O)c1ccc(cc1)Cn1c(Cl)nc2c1c(=O)n(C)c(=O)n2C
1HPURINE26DIONE8CHLORO37DIHYDRO13DIMETHYL7((4NITROPHENYL)METHYL)
8CHLORO13DIMETHYL7((4NITROPHENYL)METHYL)137TRIHYDROPURINE26DIONE
8CHLORO13DIMETHYL7((4NITROPHENYL)METHYL)PURINE26DIONE
8chloro13dimethyl7(4nitrobenzyl)1Hpurine26(3H7H)dione
8chloro13dimethyl7(4nitrobenzyl)37dihydro1Hpurine26dione
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)Cl)CC3=CC=C(C=C3)(N+)(=O)(O)
PURINE26(1H3H)DIONE8CHLORO13DIMETHYL7(4NITROBENZYL)
THEOPHYLLINE8CHLORO7(PNITROBENZYL)
Registry IDs
MFCD01797372
ZINC000000170617
ZINC00170617
ZINC170617

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Available files

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