Vitas-M small molecule compound

1,3-dimethyl-7-(2-methylbenzyl)-8-{[2-oxo-2-(pyrrolidin-1-yl)ethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK743657
SMILES O=C(N1CCCC1)CSc1nc2c(n1Cc1ccccc1C)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 C21H25N5O3S MW 427.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O3S/c1-14-8-4-5-9-15(14)12-26-17-18(23(2)21(29)24(3)19(17)28)22-20(26)30-13-16(27)25-10-6-7-11-25/h4-5,8-9H,6-7,10-13H2,1-3H3
InChIKey
NHVVGCIRTFGWKN-UHFFFAOYSA-N
Synonyms
903185-99-9
13dimethyl7((2methylphenyl)methyl)8(2oxo2pyrrolidin1ylethyl)sulfanylpurine26dione
13dimethyl7(2methylbenzyl)8((2oxo2(pyrrolidin1yl)ethyl)sulfanyl)37dihydro1Hpurine26dione
13dimethyl7(2methylbenzyl)8((2oxo2(pyrrolidin1yl)ethyl)thio)1Hpurine26(3H7H)dione
903185999
CC1=CC=CC=C1CN2C3=C(N=C2SCC(=O)N4CCCC4)N(C(=O)N(C3=O)C)C
InChI=1SC21H25N5O3Sc114845915(14)12261718(23(2)21(29)24(3)19(17)28)2220(26)301316(27)2510671125h4589H671013H213H3
MFCD08287886
ZINC000009409847
ZINC09409847
ZINC9409847

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Available files

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