Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile
Catalog ID
STK050907
SMILES N#Cc1c(SCc2ccc(cc2)Cl)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC
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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 C26H25ClN2O3S MW 481.01 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25ClN2O3S/c1-30-22-12-17(13-23(31-2)25(22)32-3)24-20-7-5-4-6-19(20)21(14-28)26(29-24)33-15-16-8-10-18(27)11-9-16/h8-13H,4-7,15H2,1-3H3InChIKey
AKLJFNLWIWANED-UHFFFAOYSA-NSynonyms
401845-83-83((4chlorobenzyl)sulfanyl)1(345trimethoxyphenyl)5678tetrahydroisoquinoline4carbonitrile
3((4chlorobenzyl)thio)1(345trimethoxyphenyl)5678tetrahydroisoquinoline4carbonitrile
3((4chlorophenyl)methylsulfanyl)1(345trimethoxyphenyl)5678tetrahydroisoquinoline4carbonitrile
401845838
COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=C(C(=N2)SCC4=CC=C(C=C4)Cl)C#N
InChI=1SC26H25ClN2O3Sc130221217(1323(312)25(22)323)2420754619(20)21(1428)26(2924)33151681018(27)11916h813H4715H213H3
MFCD02982996
N#Cc1c(SCc2ccc(cc2)Cl)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC
STK050907
ZINC000009111369
ZINC09111369
ZINC9111369
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