Vitas-M small molecule compound
3-amino-2-(3-hydroxypropyl)-1-thioxo-1,2,5,6,7,8-hexahydroisoquinoline-4-carbonitrile
Catalog ID
STK630970
SMILES OCCCn1c(N)c(C#N)c2c(c1=S)CCCC2
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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/c14-8-11-9-4-1-2-5-10(9)13(18)16(12(11)15)6-3-7-17/h17H,1-7,15H2InChIKey
DVEQZDSMXIVINT-UHFFFAOYSA-NSynonyms
919741-09-63amino2(3hydroxypropyl)1sulfanylidene5678tetrahydroisoquinoline4carbonitrile
3amino2(3hydroxypropyl)1thioxo125678hexahydroisoquinoline4carbonitrile
919741096
C1CCC2=C(C1)C(=C(N(C2=S)CCCO)N)C#N
InChI=1SC13H17N3OSc148119412510(9)13(18)16(12(11)15)63717h17H1715H2
MFCD08746371
ZINC000009303748
ZINC09303748
ZINC9303748
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