Vitas-M small molecule compound
7-(2,5-dimethylbenzyl)-8-{[4-(2-fluorophenyl)piperazin-1-yl]methyl}-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK573256
SMILES Cc1ccc(c(c1)Cn1c(CN2CCN(CC2)c2ccccc2F)nc2c1c(=O)n(c(=O)n2C)C)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 C27H31FN6O2 MW 490.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H31FN6O2/c1-18-9-10-19(2)20(15-18)16-34-23(29-25-24(34)26(35)31(4)27(36)30(25)3)17-32-11-13-33(14-12-32)22-8-6-5-7-21(22)28/h5-10,15H,11-14,16-17H2,1-4H3InChIKey
JRHNKBLLAXGTMF-UHFFFAOYSA-NSynonyms
851939-09-87((25DIMETHYLPHENYL)METHYL)8((4(2FLUOROPHENYL)PIPERAZIN1YL)METHYL)13DIMETHYLPURINE26DIONE
7((25DIMETHYLPHENYL)METHYL)8((4(2FLUOROPHENYL)PIPERAZINYL)METHYL)13DIMETHYL137TRIHYDROPURINE26DIONE
7(25dimethylbenzyl)8((4(2fluorophenyl)piperazin1yl)methyl)13dimethyl1Hpurine26(3H7H)dione
7(25dimethylbenzyl)8((4(2fluorophenyl)piperazin1yl)methyl)13dimethyl37dihydro1Hpurine26dione
851939098
CC1=CC(=C(C=C1)C)CN2C(=NC3=C2C(=O)N(C(=O)N3C)C)CN4CCN(CC4)C5=CC=CC=C5F
InChI=1SC27H31FN6O2c11891019(2)20(1518)163423(292524(34)26(35)31(4)27(36)30(25)3)1732111333(141232)22865721(22)28h51015H11141617H214H3
MFCD04466409
ZINC000057010873
ZINC57010873
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