Vitas-M small molecule compound

9-acetyl-4-oxo-2-sulfanyl-3,9-diazaspiro[5.5]undec-1-ene-1,5-dicarbonitrile

Catalog ID
STK040182
SMILES N#CC1C(=O)NC(=C(C21CCN(CC2)C(=O)C)C#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 C13H14N4O2S MW 290.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H14N4O2S/c1-8(18)17-4-2-13(3-5-17)9(6-14)11(19)16-12(20)10(13)7-15/h9,20H,2-5H2,1H3,(H,16,19)
InChIKey
LHRYDZPFQRBAFV-UHFFFAOYSA-N
Synonyms

3ACETYL8OXO10SULFANYL39DIAZASPIRO(55)UNDEC10ENE711DICARBONITRILE
9acetyl2oxo4sulfanyl39diazaspiro(55)undec4ene15dicarbonitrile
9ACETYL4OXO2SULFANYL39DIAZASPIRO(55)UNDEC1ENE15DICARBONITRILE
CC(=O)N1CCC2(CC1)C(C(=O)NC(=C2C#N)S)C#N
InChI=1SC13H14N4O2Sc18(18)174213(3517)9(614)11(19)1612(20)10(13)715h920H25H21H3(H1619)
MFCD01648317
N#CC1C(=O)NC(=C(C21CCN(CC2)C(=O)C)C#N)S
STK040182
ZINC000000377488
ZINC000000377490

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Available files

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