Vitas-M small molecule compound

7-[3-(1,3-benzothiazol-2-ylsulfanyl)-2-methylpropyl]-6-hydroxy-3-methyl-8-(pyrrolidin-1-yl)-3,7-dihydro-2H-purin-2-one

Catalog ID
STL042799
SMILES CC(Cn1c(nc2c1c(O)nc(=O)n2C)N1CCCC1)CSc1nc2c(s1)cccc2

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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 C21H24N6O2S2 MW 456.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N6O2S2/c1-13(12-30-21-22-14-7-3-4-8-15(14)31-21)11-27-16-17(25(2)20(29)24-18(16)28)23-19(27)26-9-5-6-10-26/h3-4,7-8,13H,5-6,9-12H2,1-2H3,(H,24,28,29)
InChIKey
FAQIUCXZJMBDFK-UHFFFAOYSA-N
Synonyms
714290-44-5
7(3(13BENZOTHIAZOL2YLSULFANYL)2METHYLPROPYL)3METHYL8PYRROLIDIN1YLPURINE26DIONE
7(3(13benzothiazol2ylsulfanyl)2methylpropyl)6hydroxy3methyl8(pyrrolidin1yl)37dihydro2Hpurin2one
7(3BENZOTHIAZOL2YLTHIO2METHYLPROPYL)3METHYL8PYRROLIDINYL137TRIHYDROPURINE26DIONE
714290445
CC(CN1C2=C(N=C1N3CCCC3)N(C(=O)NC2=O)C)CSC4=NC5=CC=CC=C5S4
InChI=1SC21H24N6O2S2c113(1230212214734815(14)3121)11271617(25(2)20(29)2418(16)28)2319(27)269561026h347813H56912H212H3(H242829)
MFCD05730234
ZINC000001267798
ZINC000001267799

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Available files

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