Vitas-M small molecule compound

3-{[2-(2,4-dichlorophenyl)-2-oxoethyl]sulfanyl}-1-ethyl-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK100093
SMILES N#Cc1c(SCC(=O)c2ccc(cc2Cl)Cl)nc(c2c1CCCC2)CC

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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 C20H18Cl2N2OS MW 405.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18Cl2N2OS/c1-2-18-14-6-4-3-5-13(14)16(10-23)20(24-18)26-11-19(25)15-8-7-12(21)9-17(15)22/h7-9H,2-6,11H2,1H3
InChIKey
MTWVVHNKHYOQTR-UHFFFAOYSA-N
Synonyms

3((2(24dichlorophenyl)2oxoethyl)sulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
3((2(24dichlorophenyl)2oxoethyl)thio)1ethyl5678tetrahydroisoquinoline4carbonitrile
3(2(24dichlorophenyl)2oxoethyl)sulfanyl1ethyl5678tetrahydroisoquinoline4carbonitrile
CCC1=C2CCCCC2=C(C(=N1)SCC(=O)C3=C(C=C(C=C3)Cl)Cl)C#N
InChI=1SC20H18Cl2N2OSc121814643513(14)16(1023)20(2418)261119(25)158712(21)917(15)22h79H2611H21H3
MFCD02328741
ZINC000000947957
ZINC00947957
ZINC947957

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Available files

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