Vitas-M small molecule compound

methyl {[4-cyano-1-(pyrrolidin-1-yl)-5,6,7,8-tetrahydroisoquinolin-3-yl]sulfanyl}acetate

Catalog ID
STK601801
SMILES COC(=O)CSc1nc(N2CCCC2)c2c(c1C#N)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 C17H21N3O2S MW 331.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H21N3O2S/c1-22-15(21)11-23-17-14(10-18)12-6-2-3-7-13(12)16(19-17)20-8-4-5-9-20/h2-9,11H2,1H3
InChIKey
DXUFDVOFOVNXOG-UHFFFAOYSA-N
Synonyms
904500-84-1
904500841
COC(=O)CSC1=NC(=C2CCCCC2=C1C#N)N3CCCC3
InChI=1SC17H21N3O2Sc12215(21)11231714(1018)12623713(12)16(1917)20845920h2911H21H3
methyl((4cyano1(pyrrolidin1yl)5678tetrahydroisoquinolin3yl)sulfanyl)acetate
methyl2((4cyano1(pyrrolidin1yl)5678tetrahydroisoquinolin3yl)thio)acetate
methyl2((4cyano1pyrrolidin1yl5678tetrahydroisoquinolin3yl)sulfanyl)acetate
MFCD08284911
ZINC000020572813
ZINC20572813

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Available files

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