Vitas-M small molecule compound

8-[(2-chlorobenzyl)amino]-1,3-dimethyl-7-[3-(trifluoromethyl)benzyl]-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK697876
SMILES Clc1ccccc1CNc1nc2c(n1Cc1cccc(c1)C(F)(F)F)c(=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 C22H19ClF3N5O2 MW 477.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19ClF3N5O2/c1-29-18-17(19(32)30(2)21(29)33)31(12-13-6-5-8-15(10-13)22(24,25)26)20(28-18)27-11-14-7-3-4-9-16(14)23/h3-10H,11-12H2,1-2H3,(H,27,28)
InChIKey
AFYRYTDROCXWAN-UHFFFAOYSA-N
Synonyms
369607-33-0
369607330
8((2chlorobenzyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)1Hpurine26(3H7H)dione
8((2chlorobenzyl)amino)13dimethyl7(3(trifluoromethyl)benzyl)37dihydro1Hpurine26dione
8((2CHLOROPHENYL)METHYLAMINO)13DIMETHYL7((3(TRIFLUOROMETHYL)PHENYL)METHYL)PURINE26DIONE
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3Cl)CC4=CC(=CC=C4)C(F)(F)F
InChI=1SC22H19ClF3N5O2c1291817(19(32)30(2)21(29)33)31(121365815(1013)22(2425)26)20(2818)271114734916(14)23h310H1112H212H3(H2728)
MFCD01556047
ZINC000008934217
ZINC08934217
ZINC8934217

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Available files

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