Vitas-M small molecule compound

3'-amino-2'-[(4-bromophenyl)carbonyl]-6'-oxo-6',7'-dihydro-5'H-spiro[cyclohexane-1,4'-thieno[2,3-b]pyridine]-5'-carbonitrile

Catalog ID
STK860446
SMILES N#CC1C(=O)Nc2c(C31CCCCC3)c(N)c(s2)C(=O)c1ccc(cc1)Br

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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 C20H18BrN3O2S MW 444.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O2S/c21-12-6-4-11(5-7-12)16(25)17-15(23)14-19(27-17)24-18(26)13(10-22)20(14)8-2-1-3-9-20/h4-7,13H,1-3,8-9,23H2,(H,24,26)
InChIKey
FLXVJMMEHYRKEO-UHFFFAOYSA-N
Synonyms
185414-55-5
185414555
3amino2((4bromophenyl)carbonyl)6oxo67dihydro5Hspiro(cyclohexane14thieno(23b)pyridine)5carbonitrile
3AMINO2(4BROMOBENZOYL)6OXO67DIHYDRO5HSPIRO(CYCLOHEXANE14THIENO(23B)PYRIDINE)5CARBONITRILE
3AMINO2(4BROMOBENZOYL)6OXOSPIRO(57DIHYDROTHIENO(23B)PYRIDINE41CYCLOHEXANE)5CARBONITRILE
C1CCC2(CC1)C(C(=O)NC3=C2C(=C(S3)C(=O)C4=CC=C(C=C4)Br)N)C#N
InChI=1SC20H18BrN3O2Sc21126411(5712)16(25)1715(23)1419(2717)2418(26)13(1022)20(14)8213920h4713H138923H2(H2426)
MFCD00355011
SPIRO(CYCLOHEXANE14(5H)THIENO(23B)PYRIDINE)5CARBONITRILE3AMINO2(4BROMOBENZOYL)67DIHYDRO6OXO
ZINC000000727257
ZINC000000727258

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Available files

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