Vitas-M small molecule compound

8-[benzyl(methyl)amino]-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK538893
SMILES CCCCCCCCn1c(nc2c1c(=O)[nH]c(=O)n2C)N(Cc1ccccc1)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 C22H31N5O2 MW 397.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H31N5O2/c1-4-5-6-7-8-12-15-27-18-19(26(3)22(29)24-20(18)28)23-21(27)25(2)16-17-13-10-9-11-14-17/h9-11,13-14H,4-8,12,15-16H2,1-3H3,(H,24,28,29)
InChIKey
VQFQKUMOPCWPTD-UHFFFAOYSA-N
Synonyms
378217-40-4
378217404
3METHYL8(METHYLBENZYLAMINO)7OCTYL137TRIHYDROPURINE26DIONE
8(benzyl(methyl)amino)3methyl7octyl1Hpurine26(3H7H)dione
8(benzyl(methyl)amino)3methyl7octyl37dihydro1Hpurine26dione
8(BENZYL(METHYL)AMINO)3METHYL7OCTYLPURINE26DIONE
CCCCCCCCn1c(nc2c1c(=O)(nH)c(=O)n2C)N(Cc1ccccc1)C
CCCCCCCCN1C2=C(N=C1N(C)CC3=CC=CC=C3)N(C(=O)NC2=O)C
InChI=1SC22H31N5O2c1456781215271819(26(3)22(29)2420(18)28)2321(27)25(2)161713109111417h9111314H48121516H213H3(H242829)
MFCD02984940
ZINC000002318740
ZINC2318740

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Available files

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