Vitas-M small molecule compound

7-[2-(1,3-benzothiazol-2-ylsulfanyl)ethyl]-1,3-dimethyl-8-(methylamino)-3,7-dihydro-1H-purine-2,6-dione

Catalog ID
STK850456
SMILES CNc1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)n(c(=O)n2C)C

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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 C17H18N6O2S2 MW 402.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H18N6O2S2/c1-18-15-20-13-12(14(24)22(3)17(25)21(13)2)23(15)8-9-26-16-19-10-6-4-5-7-11(10)27-16/h4-7H,8-9H2,1-3H3,(H,18,20)
InChIKey
GRFDKSRRSUBMFA-UHFFFAOYSA-N
Synonyms
850914-99-7
7(2(13benzothiazol2ylsulfanyl)ethyl)13dimethyl8(methylamino)37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)13DIMETHYL8(METHYLAMINO)PURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)13DIMETHYL8(METHYLAMINO)1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)13DIMETHYL8(METHYLAMINO)137TRIHYDROPURINE26DIONE
850914997
CNC1=NC2=C(N1CCSC3=NC4=CC=CC=C4S3)C(=O)N(C(=O)N2C)C
InChI=1SC17H18N6O2S2c11815201312(14(24)22(3)17(25)21(13)2)23(15)8926161910645711(10)2716h47H89H213H3(H1820)
MFCD04456975
ZINC000002341109
ZINC02341109
ZINC2341109

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.