Vitas-M small molecule compound

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

Catalog ID
STK069118
SMILES N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)CC

Contact us by email for worldwide delivery information, pricing, and real‑time availability. Send us your quotation request, and we will confirm stock levels, provide exact costs and lead times, suggest alternatives or find analogs when helpful, and share any additional specifications you may need.

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 C20H19ClN2O2S MW 386.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19ClN2O2S/c1-2-17-14-6-4-3-5-13(14)15(9-22)20(23-17)26-10-12-7-18-19(8-16(12)21)25-11-24-18/h7-8H,2-6,10-11H2,1H3
InChIKey
JUWPYJHOSDVHNA-UHFFFAOYSA-N
Synonyms
371124-87-7
3(((6chloro13benzodioxol5yl)methyl)sulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
3(((6chlorobenzo(d)(13)dioxol5yl)methyl)thio)1ethyl5678tetrahydroisoquinoline4carbonitrile
3((6chloro13benzodioxol5yl)methylsulfanyl)1ethyl5678tetrahydroisoquinoline4carbonitrile
371124877
CCC1=C2CCCCC2=C(C(=N1)SCC3=CC4=C(C=C3Cl)OCO4)C#N
InChI=1SC20H19ClN2O2Sc121714643513(14)15(922)20(2317)26101271819(816(12)21)25112418h78H261011H21H3
MFCD03007909
N#Cc1c(SCc2cc3OCOc3cc2Cl)nc(c2c1CCCC2)CC
STK069118
ZINC000001240487
ZINC01240487
ZINC1240487

Check stock

See real-time availability and sample size for STK069118 on the Vitas-M platform.

Check stock on Vitas-M

Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.