Vitas-M small molecule compound

3-[(2-oxo-2-phenylethyl)sulfanyl]-1-(3,4,5-trimethoxyphenyl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK089200
SMILES N#Cc1c(SCC(=O)c2ccccc2)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 C27H26N2O4S MW 474.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O4S/c1-31-23-13-18(14-24(32-2)26(23)33-3)25-20-12-8-7-11-19(20)21(15-28)27(29-25)34-16-22(30)17-9-5-4-6-10-17/h4-6,9-10,13-14H,7-8,11-12,16H2,1-3H3
InChIKey
AEVJPANPCWANSF-UHFFFAOYSA-N
Synonyms

3((2oxo2phenylethyl)sulfanyl)1(345trimethoxyphenyl)5678tetrahydroisoquinoline4carbonitrile
3((2oxo2phenylethyl)thio)1(345trimethoxyphenyl)5678tetrahydroisoquinoline4carbonitrile
3phenacylsulfanyl1(345trimethoxyphenyl)5678tetrahydroisoquinoline4carbonitrile
COC1=CC(=CC(=C1OC)OC)C2=C3CCCCC3=C(C(=N2)SCC(=O)C4=CC=CC=C4)C#N
InChI=1SC27H26N2O4Sc131231318(1424(322)26(23)333)252012871119(20)21(1528)27(2925)341622(30)1795461017h469101314H78111216H213H3
MFCD02982180
N#Cc1c(SCC(=O)c2ccccc2)nc(c2c1CCCC2)c1cc(OC)c(c(c1)OC)OC
STK089200
ZINC000008738382
ZINC08738382
ZINC8738382

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Available files

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