Vitas-M small molecule compound

3-amino-2-[3-(propan-2-yloxy)propyl]-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Catalog ID
STL235798
SMILES N#Cc1c(N)n(CCCOC(C)C)c(=S)c2c1CCCC2

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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 C16H23N3OS MW 305.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H23N3OS/c1-11(2)20-9-5-8-19-15(18)14(10-17)12-6-3-4-7-13(12)16(19)21/h11H,3-9,18H2,1-2H3
InChIKey
QRUYRHJWWOSHRE-UHFFFAOYSA-N
Synonyms
919723-97-0
3amino2(3(propan2yloxy)propyl)1thioxo125678hexahydroisoquinoline4carbonitrile
3amino2(3isopropoxypropyl)1thioxo125678hexahydroisoquinoline4carbonitrile
3amino2(3propan2yloxypropyl)1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
919723970
CC(C)OCCCN1C(=C(C2=C(C1=S)CCCC2)C#N)N
InChI=1SC16H23N3OSc111(2)209581915(18)14(1017)12634713(12)16(19)21h11H3918H212H3
MFCD08747361
ZINC000009305877
ZINC09305877
ZINC9305877

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Available files

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