Vitas-M small molecule compound

3-amino-2-methyl-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile

Catalog ID
STK830655
SMILES N#Cc1c2CCCCc2c(=S)n(c1N)C

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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 C11H13N3S MW 219.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C11H13N3S/c1-14-10(13)9(6-12)7-4-2-3-5-8(7)11(14)15/h2-5,13H2,1H3
InChIKey
IKKYLYMSTJZDRD-UHFFFAOYSA-N
Synonyms
50706-63-3
3amino2methyl1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino2methyl1thioxo125678hexahydroisoquinoline4carbonitrile
50706633
CN1C(=C(C2=C(C1=S)CCCC2)C#N)N
InChI=1SC11H13N3Sc11410(13)9(612)742358(7)11(14)15h2513H21H3
MFCD01211731
ZINC000004120458
ZINC04120458
ZINC4120458

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Available files

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