Vitas-M small molecule compound
8-(1,3-benzothiazol-2-ylsulfanyl)-3-methyl-7-octyl-3,7-dihydro-1H-purine-2,6-dione
Catalog ID
STK529527
SMILES CCCCCCCCn1c(Sc2nc3c(s2)cccc3)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 C21H25N5O2S2 MW 443.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25N5O2S2/c1-3-4-5-6-7-10-13-26-16-17(25(2)19(28)24-18(16)27)23-20(26)30-21-22-14-11-8-9-12-15(14)29-21/h8-9,11-12H,3-7,10,13H2,1-2H3,(H,24,27,28)InChIKey
SLNOUDUMSAHRHT-UHFFFAOYSA-NSynonyms
313552-38-4313552384
8(13benzothiazol2ylsulfanyl)3methyl7octyl37dihydro1Hpurine26dione
8(13BENZOTHIAZOL2YLSULFANYL)3METHYL7OCTYLPURINE26DIONE
8(benzo(d)thiazol2ylthio)3methyl7octyl1Hpurine26(3H7H)dione
8(BENZOTHIAZOL2YLSULFANYL)3METHYL7OCTYL37DIHYDROPURINE26DIONE
CCCCCCCCn1c(Sc2nc3c(s2)cccc3)nc2c1c(=O)(nH)c(=O)n2C
CCCCCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C
InChI=1SC21H25N5O2S2c1345671013261617(25(2)19(28)2418(16)27)2320(26)3021221411891215(14)2921h891112H371013H212H3(H242728)
MFCD00612625
ZINC000033353009
ZINC33353009
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