Vitas-M small molecule compound

3-{[(6-chloro-1,3-benzodioxol-5-yl)methyl]sulfanyl}-1-(thiophen-2-yl)-5,6,7,8-tetrahydroisoquinoline-4-carbonitrile

Catalog ID
STK019676
SMILES N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)c1cccs1

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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 C22H17ClN2O2S2 MW 440.97 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17ClN2O2S2/c23-17-9-19-18(26-12-27-19)8-13(17)11-29-22-16(10-24)14-4-1-2-5-15(14)21(25-22)20-6-3-7-28-20/h3,6-9H,1-2,4-5,11-12H2
InChIKey
ONRCGBYYULMFDF-UHFFFAOYSA-N
Synonyms

3(((6chloro13benzodioxol5yl)methyl)sulfanyl)1(thiophen2yl)5678tetrahydroisoquinoline4carbonitrile
3((6chloro13benzodioxol5yl)methylsulfanyl)1thiophen2yl5678tetrahydroisoquinoline4carbonitrile
C1CCC2=C(N=C(C(=C2C1)C#N)SCC3=CC4=C(C=C3Cl)OCO4)C5=CC=CS5
InChI=1SC22H17ClN2O2S2c231791918(26122719)813(17)11292216(1024)14412515(14)21(2522)206372820h369H12451112H2
MFCD08049788
N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)c1cccs1
STK019676
ZINC000008986368
ZINC08986368
ZINC8986368

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Available files

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