Vitas-M small molecule compound
7-butyl-3-methyl-8-{[2-(4-nitrophenyl)-2-oxoethyl]sulfanyl}-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK063934
SMILES CCCCn1c(SCC(=O)c2ccc(cc2)[N+](=O)[O-])nc2c1c(=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 C18H19N5O5S MW 417.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O5S/c1-3-4-9-22-14-15(21(2)17(26)20-16(14)25)19-18(22)29-10-13(24)11-5-7-12(8-6-11)23(27)28/h5-8H,3-4,9-10H2,1-2H3,(H,20,25,26)InChIKey
KCQZOLDRRWSGJR-UHFFFAOYSA-NSynonyms
303968-81-2303968812
7BUTYL3METHYL8((2(4NITROPHENYL)2OXOETHYL)SULFANYL)37DIHYDRO1HPURINE26DIONE
7butyl3methyl8((2(4nitrophenyl)2oxoethyl)thio)1Hpurine26(3H7H)dione
7BUTYL3METHYL8(2(4NITROPHENYL)2OXOETHYL)SULFANYLPURINE26DIONE
CCCCn1c(SCC(=O)c2ccc(cc2)(N+)(=O)(O))nc2c1c(=O)(nH)c(=O)n2C
CCCCN1C2=C(N=C1SCC(=O)C3=CC=C(C=C3)(N+)(=O)(O))N(C(=O)NC2=O)C
InChI=1SC18H19N5O5Sc1349221415(21(2)17(26)2016(14)25)1918(22)291013(24)115712(8611)23(27)28h58H34910H212H3(H202526)
MFCD02170796
STK063934
ZINC000001804850
ZINC01804850
ZINC1804850
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