Vitas-M small molecule compound

2-[(4-amino-1,5-dicyano-3-azaspiro[5.5]undeca-1,4-dien-2-yl)sulfanyl]-N-(4-bromophenyl)acetamide

Catalog ID
STK860456
SMILES N#CC1=C(SCC(=O)Nc2ccc(cc2)Br)NC(=C(C21CCCCC2)C#N)N

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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 C20H20BrN5OS MW 458.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5OS/c21-13-4-6-14(7-5-13)25-17(27)12-28-19-16(11-23)20(8-2-1-3-9-20)15(10-22)18(24)26-19/h4-7,26H,1-3,8-9,12,24H2,(H,25,27)
InChIKey
DWQTXLQHPLDCMH-UHFFFAOYSA-N
Synonyms
186421-44-3
186421443
2((2amino15dicyano3azaspiro(55)undeca14dien4yl)sulfanyl)N(4bromophenyl)acetamide
2((4amino15dicyano3azaspiro(55)undeca14dien2yl)sulfanyl)N(4bromophenyl)acetamide
2((4amino15dicyano3azaspiro(55)undeca14dien2yl)thio)N(4bromophenyl)acetamide
2((8AMINO711DICYANO9AZASPIRO(55)UNDECA710DIEN10YL)SULFANYL)N(4BROMOPHENYL)ACETAMIDE
2(2OXO2(4BROMOANILINO)ETHYLTHIO)4AMINO3AZASPIRO(55)UNDECA14DIENE15DICARBONITRILE
2(4AMINO15DICYANO3AZASPIRO(55)UNDECA14DIEN2YLSULFANYL)N(4BROMOPHENYL)ACETAMIDE
C1CCC2(CC1)C(=C(NC(=C2C#N)SCC(=O)NC3=CC=C(C=C3)Br)N)C#N
InChI=1SC20H20BrN5OSc21134614(7513)2517(27)12281916(1123)20(8213920)15(1022)18(24)2619h4726H13891224H2(H2527)
MFCD00559159
ZINC000003995828
ZINC03995828
ZINC3995828

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Available files

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