Vitas-M small molecule compound
2-(1,3-benzothiazol-2-ylsulfanyl)-3-(2-ethoxyphenyl)-3-hydroxypropanenitrile
Catalog ID
STK279074
SMILES CCOc1ccccc1C(C(Sc1nc2c(s1)cccc2)C#N)O
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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 C18H16N2O2S2 MW 356.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N2O2S2/c1-2-22-14-9-5-3-7-12(14)17(21)16(11-19)24-18-20-13-8-4-6-10-15(13)23-18/h3-10,16-17,21H,2H2,1H3InChIKey
WVMUWPXNOOIZBT-UHFFFAOYSA-NSynonyms
2(13BENZOTHIAZOL2YLSULFANYL)3(2ETHOXYPHENYL)3HYDROXYPROPANENITRILE
2(BENZOTHIAZOL2YLSULFANYL)3(2ETHOXYPHENYL)3HYDROXYPROPIONITRILE
CCOC1=CC=CC=C1C(C(C#N)SC2=NC3=CC=CC=C3S2)O
InChI=1SC18H16N2O2S2c122214953712(14)17(21)16(1119)241820138461015(13)2318h310161721H2H21H3
MFCD07178613
ZINC000004943973
ZINC000004943976
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