Vitas-M small molecule compound
3-methyl-8-[(4-nitrobenzyl)sulfanyl]-7-(2-phenylethyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK085002
SMILES [O-][N+](=O)c1ccc(cc1)CSc1nc2c(n1CCc1ccccc1)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 C21H19N5O4S MW 437.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19N5O4S/c1-24-18-17(19(27)23-20(24)28)25(12-11-14-5-3-2-4-6-14)21(22-18)31-13-15-7-9-16(10-8-15)26(29)30/h2-10H,11-13H2,1H3,(H,23,27,28)InChIKey
OQALOHUQBDLQBP-UHFFFAOYSA-NSynonyms
303969-43-9(O)(N+)(=O)c1ccc(cc1)CSc1nc2c(n1CCc1ccccc1)c(=O)(nH)c(=O)n2C
303969439
3METHYL8((4NITROBENZYL)SULFANYL)7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
3methyl8((4nitrobenzyl)thio)7phenethyl1Hpurine26(3H7H)dione
3methyl8((4nitrophenyl)methylsulfanyl)7(2phenylethyl)purine26dione
3METHYL8((4NITROPHENYL)METHYLSULFANYL)7PHENETHYLPURINE26DIONE
8((4NITROBENZYL)SULFANYL)3METHYL7(2PHENYLETHYL)37DIHYDRO1HPURINE26DIONE
CN1C2=C(C(=O)NC1=O)N(C(=N2)SCC3=CC=C(C=C3)(N+)(=O)(O))CCC4=CC=CC=C4
InChI=1SC21H19N5O4Sc1241817(19(27)2320(24)28)25(1211145324614)21(2218)3113157916(10815)26(29)30h210H1113H21H3(H232728)
MFCD01142783
STK085002
ZINC000000647507
ZINC00647507
ZINC647507
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.