Vitas-M small molecule compound

ethyl 2-amino-5-cyano-6-[(2-oxo-2-phenylethyl)sulfanyl]pyridine-3-carboxylate

Catalog ID
STK239438
SMILES CCOC(=O)c1cc(C#N)c(nc1N)SCC(=O)c1ccccc1

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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 C17H15N3O3S MW 341.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H15N3O3S/c1-2-23-17(22)13-8-12(9-18)16(20-15(13)19)24-10-14(21)11-6-4-3-5-7-11/h3-8H,2,10H2,1H3,(H2,19,20)
InChIKey
VRVYVHYWUPJKDA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=C(N=C(C(=C1)C#N)SCC(=O)C2=CC=CC=C2)N
ethyl2amino5cyano6((2oxo2phenylethyl)sulfanyl)pyridine3carboxylate
ETHYL2AMINO5CYANO6(2OXO2PHENYLETHYLTHIO)PYRIDINE3CARBOXYLATE
ETHYL2AMINO5CYANO6PHENACYLSULFANYLPYRIDINE3CARBOXYLATE
InChI=1SC17H15N3O3Sc122317(22)13812(918)16(2015(13)19)241014(21)116435711h38H210H21H3(H21920)
MFCD00389744
ZINC000018227568
ZINC18227568

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Available files

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