Vitas-M small molecule compound

(2Z)-3-(1H-benzimidazol-2-yl)-3-cyano-2-hydroxyprop-2-en-1-yl 2-methylpiperidine-1-carbodithioate

Catalog ID
STK572843
SMILES N#C/C(=C(\CSC(=S)N1CCCCC1C)/O)/c1nc2c([nH]1)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 C18H20N4OS2 MW 372.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H20N4OS2/c1-12-6-4-5-9-22(12)18(24)25-11-16(23)13(10-19)17-20-14-7-2-3-8-15(14)21-17/h2-3,7-8,12,23H,4-6,9,11H2,1H3,(H,20,21)/b16-13-
InChIKey
WHLBNMYWBVRRBD-SSZFMOIBSA-N
Synonyms

(2Z)3(1Hbenzimidazol2yl)3cyano2hydroxyprop2en1yl2methylpiperidine1carbodithioate
MFCD07199144
N#CC(=C(CSC(=S)N1CCCCC1C)O)c1nc2c((nH)1)cccc2
ZINC000101848221
ZINC000101848227

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Available files

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