Vitas-M small molecule compound
8-(1,3-benzothiazol-2-ylsulfanyl)-6-hydroxy-3-methyl-7-pentyl-3,7-dihydro-2H-purin-2-one
Catalog ID
STK568863
SMILES CCCCCn1c(Sc2nc3c(s2)cccc3)nc2c1c(O)nc(=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 C18H19N5O2S2 MW 401.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N5O2S2/c1-3-4-7-10-23-13-14(22(2)16(25)21-15(13)24)20-17(23)27-18-19-11-8-5-6-9-12(11)26-18/h5-6,8-9H,3-4,7,10H2,1-2H3,(H,21,24,25)InChIKey
IRSCSUYQQBSTMS-UHFFFAOYSA-NSynonyms
716330-85-7716330857
8(13BENZOTHIAZOL2YLSULFANYL)3METHYL7PENTYLPURINE26DIONE
8(13benzothiazol2ylsulfanyl)6hydroxy3methyl7pentyl37dihydro2Hpurin2one
8(BENZO(D)THIAZOL2YLTHIO)3METHYL7PENTYL1HPURINE26(3H7H)DIONE
CCCCCN1C2=C(N=C1SC3=NC4=CC=CC=C4S3)N(C(=O)NC2=O)C
InChI=1SC18H19N5O2S2c134710231314(22(2)16(25)2115(13)24)2017(23)27181911856912(11)2618h5689H34710H212H3(H212425)
MFCD05737872
ZINC000002429464
ZINC02429464
ZINC2429464
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