Vitas-M small molecule compound

4-{[5-(pyridin-4-yl)-1,3,4-oxadiazol-2-yl]sulfanyl}but-2-yn-1-yl 4-methylbenzoate

Catalog ID
STK177459
SMILES Cc1ccc(cc1)C(=O)OCC#CCSc1nnc(o1)c1ccncc1

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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 C19H15N3O3S MW 365.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H15N3O3S/c1-14-4-6-16(7-5-14)18(23)24-12-2-3-13-26-19-22-21-17(25-19)15-8-10-20-11-9-15/h4-11H,12-13H2,1H3
InChIKey
AGROZQBXBFCSAH-UHFFFAOYSA-N
Synonyms
669715-65-5
4((5(PYRIDIN4YL)134OXADIAZOL2YL)SULFANYL)BUT2YN1YL4METHYLBENZOATE
4((5(pyridin4yl)134oxadiazol2yl)thio)but2yn1yl4methylbenzoate
4((5PYRIDIN4YL134OXADIAZOL2YL)SULFANYL)BUT2YNYL4METHYLBENZOATE
669715655
CC1=CC=C(C=C1)C(=O)OCC#CCSC2=NN=C(O2)C3=CC=NC=C3
InChI=1SC19H15N3O3Sc1144616(7514)18(23)241223132619222117(2519)158102011915h411H1213H21H3
MFCD03667280
ZINC000002194433
ZINC02194433
ZINC2194433

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Available files

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