Vitas-M small molecule compound
7-(4-chlorobenzyl)-3-methyl-8-(octylsulfanyl)-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK088807
SMILES CCCCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)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 C21H27ClN4O2S MW 434.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27ClN4O2S/c1-3-4-5-6-7-8-13-29-21-23-18-17(19(27)24-20(28)25(18)2)26(21)14-15-9-11-16(22)12-10-15/h9-12H,3-8,13-14H2,1-2H3,(H,24,27,28)InChIKey
HUAQYPDQQMVYEM-UHFFFAOYSA-NSynonyms
370840-30-5370840305
7((4CHLOROPHENYL)METHYL)3METHYL8OCTYLSULFANYLPURINE26DIONE
7((4CHLOROPHENYL)METHYL)3METHYL8OCTYLTHIO137TRIHYDROPURINE26DIONE
7(4CHLOROBENZYL)3METHYL8(OCTYLSULFANYL)37DIHYDRO1HPURINE26DIONE
7(4chlorobenzyl)3methyl8(octylthio)1Hpurine26(3H7H)dione
7(4CHLOROBENZYL)3METHYL8OCTYLSULFANYL37DIHYDROPURINE26DIONE
CCCCCCCCSC1=NC2=C(N1CC3=CC=C(C=C3)Cl)C(=O)NC(=O)N2C
CCCCCCCCSc1nc2c(n1Cc1ccc(cc1)Cl)c(=O)(nH)c(=O)n2C
InChI=1SC21H27ClN4O2Sc1345678132921231817(19(27)2420(28)25(18)2)26(21)141591116(22)121015h912H381314H212H3(H242728)
MFCD01032133
STK088807
ZINC000002229870
ZINC2229870
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