Vitas-M small molecule compound

2-{[(E)-{4-methoxy-3-[(pyridin-2-ylsulfanyl)methyl]phenyl}methylidene]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonitrile

Catalog ID
STK965987
SMILES COc1ccc(cc1CSc1ccccn1)/C=N/c1sc2c(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 C23H21N3OS2 MW 419.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H21N3OS2/c1-27-20-10-9-16(12-17(20)15-28-22-8-4-5-11-25-22)14-26-23-19(13-24)18-6-2-3-7-21(18)29-23/h4-5,8-12,14H,2-3,6-7,15H2,1H3/b26-14+
InChIKey
IUTLZNCDZLVURV-VULFUBBASA-N
Synonyms

2(((E)(4methoxy3((pyridin2ylsulfanyl)methyl)phenyl)methylidene)amino)4567tetrahydro1benzothiophene3carbonitrile
2((E)(4methoxy3(pyridin2ylsulfanylmethyl)phenyl)methylideneamino)4567tetrahydro1benzothiophene3carbonitrile
COC1=C(C=C(C=C1)C=NC2=C(C3=C(S2)CCCC3)C#N)CSC4=CC=CC=N4
COc1ccc(cc1CSc1ccccn1)C=Nc1sc2c(c1C#N)CCCC2
InChI=1SC23H21N3OS2c1272010916(1217(20)152822845112522)14262319(1324)18623721(18)2923h4581214H236715H21H3b2614+
MFCD01919099
ZINC000013004185

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Available files

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