Vitas-M small molecule compound
potassium 1,5-dicyano-9-ethyl-4-oxo-3,9-diazaspiro[5.5]undec-1-ene-2-thiolate
Catalog ID
STK700436
SMILES CCN1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)[S-].[K+]
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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 C13H15KN4OS MW 314.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H16N4OS.K/c1-2-17-5-3-13(4-6-17)9(7-14)11(18)16-12(19)10(13)8-15;/h9,19H,2-6H2,1H3,(H,16,18);/q;+1/p-1InChIKey
LFKNOLTUMFORBX-UHFFFAOYSA-MSynonyms
CCN1CCC2(CC1)C(C#N)C(=O)NC(=C2C#N)(S)(K+)
CCN1CCC2(CC1)C(C(=O)NC(=C2C#N)(S))C#N(K+)
InChI=1SC13H16N4OSKc12175313(4617)9(714)11(18)1612(19)10(13)815h919H26H21H3(H1618)q+1p1
MFCD01557761
potassium15dicyano9ethyl2oxo39diazaspiro(55)undec4ene4thiolate
potassium15dicyano9ethyl4oxo39diazaspiro(55)undec1ene2thiolate
ZINC000004364701
ZINC000004364707
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