Vitas-M small molecule compound

methyl [(3-cyano-6,7-dihydro-5H-cyclopenta[b]pyridin-2-yl)sulfanyl]acetate

Catalog ID
STK020051
SMILES COC(=O)CSc1nc2CCCc2cc1C#N

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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 C12H12N2O2S MW 248.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H12N2O2S/c1-16-11(15)7-17-12-9(6-13)5-8-3-2-4-10(8)14-12/h5H,2-4,7H2,1H3
InChIKey
HKUIJBBQSGBLQK-UHFFFAOYSA-N
Synonyms

COC(=O)CSC1=NC2=C(CCC2)C=C1C#N
COC(=O)CSc1nc2CCCc2cc1C#N
InChI=1SC12H12N2O2Sc11611(15)717129(613)5832410(8)1412h5H247H21H3
METHYL((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
METHYL2((3CYANO67DIHYDRO5HCYCLOPENTA(B)PYRIDIN2YL)SULFANYL)ACETATE
METHYL2(3CYANO567TRIHYDROCYCLOPENTA(12E)PYRIDIN2YLTHIO)ACETATE
MFCD00487195
STK020051
ZINC000004088967
ZINC04088967
ZINC4088967

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Available files

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