Vitas-M small molecule compound

{[5-(1-benzofuran-2-yl)-4-cyclohexyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetic acid

Catalog ID
STK974112
SMILES OC(=O)CSc1nnc(n1C1CCCCC1)c1cc2c(o1)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 C18H19N3O3S MW 357.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H19N3O3S/c22-16(23)11-25-18-20-19-17(21(18)13-7-2-1-3-8-13)15-10-12-6-4-5-9-14(12)24-15/h4-6,9-10,13H,1-3,7-8,11H2,(H,22,23)
InChIKey
DMNUSIVKEKZIKB-UHFFFAOYSA-N
Synonyms
920125-86-6
((5(1benzofuran2yl)4cyclohexyl4H124triazol3yl)sulfanyl)aceticacid
2((5(1benzofuran2yl)4cyclohexyl124triazol3yl)sulfanyl)aceticacid
2((5(benzofuran2yl)4cyclohexyl4H124triazol3yl)thio)aceticacid
920125866
C1CCC(CC1)N2C(=NN=C2SCC(=O)O)C3=CC4=CC=CC=C4O3
InChI=1SC18H19N3O3Sc2216(23)112518201917(21(18)137213813)151012645914(12)2415h4691013H137811H2(H2223)
MFCD12206901
ZINC000020724182
ZINC20724182

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Available files

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