Vitas-M small molecule compound

2-{[2-(6,7-dimethoxy-3,4-dihydroisoquinolin-2(1H)-yl)-2-oxoethyl]sulfanyl}-4,5,6-trimethylpyridine-3-carbonitrile

Catalog ID
STK840722
SMILES COc1cc2CCN(Cc2cc1OC)C(=O)CSc1nc(C)c(c(c1C#N)C)C

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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 C22H25N3O3S MW 411.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N3O3S/c1-13-14(2)18(10-23)22(24-15(13)3)29-12-21(26)25-7-6-16-8-19(27-4)20(28-5)9-17(16)11-25/h8-9H,6-7,11-12H2,1-5H3
InChIKey
LXTYHTRBOFJEFE-UHFFFAOYSA-N
Synonyms
371115-70-7
2((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)sulfanyl)456trimethylpyridine3carbonitrile
2((2(67dimethoxy34dihydroisoquinolin2(1H)yl)2oxoethyl)thio)456trimethylnicotinonitrile
2(2(67DIMETHOXY34DIHYDRO1HISOQUINOLIN2YL)2OXOETHYL)SULFANYL456TRIMETHYLPYRIDINE3CARBONITRILE
371115707
CC1=C(N=C(C(=C1C)C#N)SCC(=O)N2CCC3=CC(=C(C=C3C2)OC)OC)C
InChI=1SC22H25N3O3Sc11314(2)18(1023)22(2415(13)3)291221(26)257616819(274)20(285)917(16)1125h89H671112H215H3
MFCD02950668
ZINC000000803751
ZINC00803751
ZINC803751

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Available files

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