Vitas-M small molecule compound

1-(morpholin-4-yl)-3-[(4-nitrobenzyl)sulfanyl]-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK555161
SMILES N#Cc1c(SCc2ccc(cc2)[N+](=O)[O-])nc(c2c1CCCC2)N1CCOCC1

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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 C21H22N4O3S MW 410.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N4O3S/c22-13-19-17-3-1-2-4-18(17)20(24-9-11-28-12-10-24)23-21(19)29-14-15-5-7-16(8-6-15)25(26)27/h5-8H,1-4,9-12,14H2
InChIKey
IOLUNONKSVVABE-UHFFFAOYSA-N
Synonyms
674296-10-7
1(morpholin4yl)3((4nitrobenzyl)sulfanyl)5678tetrahydroisoquinoline4carbonitrile
1morpholin4yl3((4nitrophenyl)methylsulfanyl)5678tetrahydroisoquinoline4carbonitrile
1morpholino3((4nitrobenzyl)thio)5678tetrahydroisoquinoline4carbonitrile
674296107
C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC=C(C=C3)(N+)(=O)(O))N4CCOCC4
InChI=1SC21H22N4O3Sc22131917312418(17)20(2491128121024)2321(19)2914155716(8615)25(26)27h58H1491214H2
MFCD04009238
N#Cc1c(SCc2ccc(cc2)(N+)(=O)(O))nc(c2c1CCCC2)N1CCOCC1
ZINC000020266866
ZINC20266866

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Available files

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