Vitas-M small molecule compound

1-bicyclo[2.2.1]hept-2-yl-3-(2-{[(4,6-dimethylpyrimidin-2-yl)sulfanyl]methyl}-1-methyl-1H-benzimidazol-5-yl)thiourea

Catalog ID
STK632249
SMILES S=C(Nc1ccc2c(c1)nc(n2C)CSc1nc(C)cc(n1)C)NC1CC2CC1CC2

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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 C23H28N6S2 MW 452.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H28N6S2/c1-13-8-14(2)25-23(24-13)31-12-21-27-19-11-17(6-7-20(19)29(21)3)26-22(30)28-18-10-15-4-5-16(18)9-15/h6-8,11,15-16,18H,4-5,9-10,12H2,1-3H3,(H2,26,28,30)
InChIKey
NHOQOBTWOFNXJZ-UHFFFAOYSA-N
Synonyms
1212334-23-0
1((1S2S4R)bicyclo(221)heptan2yl)3(2(((46dimethylpyrimidin2yl)thio)methyl)1methyl1Hbenzo(d)imidazol5yl)thiourea
1(3bicyclo(221)heptanyl)3(2((46dimethylpyrimidin2yl)sulfanylmethyl)1methylbenzimidazol5yl)thiourea
1bicyclo(221)hept2yl3(2(((46dimethylpyrimidin2yl)sulfanyl)methyl)1methyl1Hbenzimidazol5yl)thiourea
CC1=CC(=NC(=N1)SCC2=NC3=C(N2C)C=CC(=C3)NC(=S)NC4CC5CCC4C5)C
Registry IDs
MFCD12202628
ZINC000104182961
ZINC000104182963

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Available files

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