Vitas-M small molecule compound

8-(butylamino)-3-methyl-7-(3-methylbenzyl)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK838217
SMILES CCCCNc1nc2c(n1Cc1cccc(c1)C)c(=O)[nH]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 C18H23N5O2 MW 341.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H23N5O2/c1-4-5-9-19-17-20-15-14(16(24)21-18(25)22(15)3)23(17)11-13-8-6-7-12(2)10-13/h6-8,10H,4-5,9,11H2,1-3H3,(H,19,20)(H,21,24,25)
InChIKey
VRNIZJNFEOHDGA-UHFFFAOYSA-N
Synonyms
377060-30-5
377060305
8(BUTYLAMINO)3METHYL7((3METHYLPHENYL)METHYL)PURINE26DIONE
8(BUTYLAMINO)3METHYL7(3METHYLBENZYL)1HPURINE26(3H7H)DIONE
8(butylamino)3methyl7(3methylbenzyl)37dihydro1Hpurine26dione
CCCCNC1=NC2=C(N1CC3=CC=CC(=C3)C)C(=O)NC(=O)N2C
CCCCNc1nc2c(n1Cc1cccc(c1)C)c(=O)(nH)c(=O)n2C
InChI=1SC18H23N5O2c14591917201514(16(24)2118(25)22(15)3)23(17)111386712(2)1013h6810H45911H213H3(H1920)(H212425)
MFCD02983413
ZINC000004094899
ZINC04094899
ZINC4094899

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Available files

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