Vitas-M small molecule compound

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

Catalog ID
STK849463
SMILES CN(c1nc2c(n1CCSc1nc3c(s1)cccc3)c(=O)n(c(=O)n2C)C)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 C18H20N6O2S2 MW 416.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N6O2S2/c1-21(2)16-20-14-13(15(25)23(4)18(26)22(14)3)24(16)9-10-27-17-19-11-7-5-6-8-12(11)28-17/h5-8H,9-10H2,1-4H3
InChIKey
KQWANHCBXMZPBH-UHFFFAOYSA-N
Synonyms
850914-50-0
7(2(13benzothiazol2ylsulfanyl)ethyl)8(dimethylamino)13dimethyl37dihydro1Hpurine26dione
7(2(13BENZOTHIAZOL2YLSULFANYL)ETHYL)8(DIMETHYLAMINO)13DIMETHYLPURINE26DIONE
7(2(BENZO(D)THIAZOL2YLTHIO)ETHYL)8(DIMETHYLAMINO)13DIMETHYL1HPURINE26(3H7H)DIONE
7(2BENZOTHIAZOL2YLTHIOETHYL)8(DIMETHYLAMINO)13DIMETHYL137TRIHYDROPURINE26DIONE
850914500
CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)N(C)C)CCSC3=NC4=CC=CC=C4S3
InChI=1SC18H20N6O2S2c121(2)16201413(15(25)23(4)18(26)22(14)3)24(16)91027171911756812(11)2817h58H910H214H3
MFCD04456920
ZINC000012647664
ZINC12647664

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Available files

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