Vitas-M small molecule compound

7-{[2-(4-methoxyphenyl)-2-oxoethyl]sulfanyl}-9-oxo-8-azaspiro[4.5]dec-6-ene-6,10-dicarbonitrile

Catalog ID
STK012303
SMILES COc1ccc(cc1)C(=O)CSC1=C(C#N)C2(C(C(=O)N1)C#N)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 C20H19N3O3S MW 381.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O3S/c1-26-14-6-4-13(5-7-14)17(24)12-27-19-16(11-22)20(8-2-3-9-20)15(10-21)18(25)23-19/h4-7,15H,2-3,8-9,12H2,1H3,(H,23,25)
InChIKey
NTFRCJHDEJTWRU-UHFFFAOYSA-N
Synonyms
340808-78-8
(10R)7((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)9OXO8AZASPIRO(45)DEC6ENE610DICARBONITRILE
(10S)7((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)9OXO8AZASPIRO(45)DEC6ENE610DICARBONITRILE
340808788
7((2(4METHOXYPHENYL)2OXOETHYL)SULFANYL)9OXO8AZASPIRO(45)DEC6ENE610DICARBONITRILE
7((2(4methoxyphenyl)2oxoethyl)thio)9oxo8azaspiro(45)dec6ene610dicarbonitrile
9(2(4METHOXYPHENYL)2OXOETHYL)SULFANYL7OXO8AZASPIRO(45)DEC9ENE610DICARBONITRILE
COC1=CC=C(C=C1)C(=O)CSC2=C(C3(CCCC3)C(C(=O)N2)C#N)C#N
COc1ccc(cc1)C(=O)CSC1=C(C#N)C2(C(C(=O)N1)C#N)CCCC2
InChI=1SC20H19N3O3Sc126146413(5714)17(24)12271916(1122)20(823920)15(1021)18(25)2319h4715H238912H21H3(H2325)
MFCD01559499
STK012303
ZINC000002051442
ZINC000002051443

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.