Vitas-M small molecule compound
1,5-dicyano-4-oxo-9-propyl-3-oxa-9-azoniaspiro[5.5]undec-1-ene-2-thiolate
Catalog ID
STK017909
SMILES CCC[NH+]1CCC2(CC1)C(C#N)C(=O)OC(=C2C#N)[S-]
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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 C14H17N3O2S MW 291.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H17N3O2S/c1-2-5-17-6-3-14(4-7-17)10(8-15)12(18)19-13(20)11(14)9-16/h10,20H,2-7H2,1H3InChIKey
RZLSLRKOVMXDGL-UHFFFAOYSA-NSynonyms
1026081-26-41026081264
15dicyano2oxo9propyl3oxa9azoniaspiro(55)undec4ene4thiolate
15dicyano4oxo9propyl3oxa9azaspiro(55)undec1en9ium2thiolate
15DICYANO4OXO9PROPYL3OXA9AZONIASPIRO(55)UNDEC1ENE2THIOLATE
711DICYANO8OXO3PROPYL9OXA3AZONIASPIRO(55)UNDEC10ENE10THIOLATE
8OXO3PROPYL10SULFANYL9OXA3AZASPIRO(55)UNDEC10ENE711DICARBONITRILE
CCC(NH+)1CCC2(CC1)C(C#N)C(=O)OC(=C2C#N)(S)
CCC(NH+)1CCC2(CC1)C(C(=O)OC(=C2C#N)(S))C#N
InChI=1SC14H17N3O2Sc125176314(4717)10(815)12(18)1913(20)11(14)916h1020H27H21H3
MFCD01855989
STK017909
ZINC000000499655
ZINC000000499656
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