Vitas-M small molecule compound

3-amino-2-(2-hydroxypropyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Catalog ID
STL238065
SMILES N#Cc1c(N)n(CC(O)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 C13H17N3OS MW 263.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H17N3OS/c1-8(17)7-16-12(15)11(6-14)9-4-2-3-5-10(9)13(16)18/h8,17H,2-5,7,15H2,1H3
InChIKey
IFUHIQOMLZVKKS-UHFFFAOYSA-N
Synonyms
919723-79-8
3amino2(2hydroxypropyl)1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino2(2hydroxypropyl)1thioxo125678hexahydroisoquinoline4carbonitrile
919723798
CC(CN1C(=C(C2=C(C1=S)CCCC2)C#N)N)O
InChI=1SC13H17N3OSc18(17)71612(15)11(614)9423510(9)13(16)18h817H25715H21H3
MFCD08749926
ZINC000009418809
ZINC000009418810

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Available files

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