Vitas-M small molecule compound

1,5-dicyano-4-hydroxy-9-methyl-3-azaspiro[5.5]undeca-1,3-diene-2-thiolate

Catalog ID
STL043142
SMILES N#CC1C(=NC(=C(C21CCC(CC2)C)C#N)[S-])O

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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 C13H14N3OS MW 260.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H15N3OS/c1-8-2-4-13(5-3-8)9(6-14)11(17)16-12(18)10(13)7-15/h8-9,18H,2-5H2,1H3,(H,16,17)/p-1
InChIKey
LXTCJCBMPODWLL-UHFFFAOYSA-M
Synonyms

15dicyano4hydroxy9methyl3azaspiro(55)undeca13diene2thiolate
15dicyano9methyl4sulfanyl3azaspiro(55)undeca24dien2olate
711DICYANO3METHYL10SULFANYL9AZASPIRO(55)UNDECA810DIEN8OLATE
CC1CCC2(CC1)C(C(=NC(=C2C#N)S)(O))C#N
InChI=1SC13H15N3OSc182413(538)9(614)11(17)1612(18)10(13)715h8918H25H21H3(H1617)p1
N#CC1C(=NC(=C(C21CCC(CC2)C)C#N)(S))O
ZINC000005977700
ZINC000005977701

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Available files

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