Vitas-M small molecule compound

1-amino-3-(4-tert-butylphenyl)-3H-pyrido[2,1-b][1,3]benzothiazole-2,4-dicarbonitrile

Catalog ID
STK663736
SMILES N#CC1=C(N)n2c(=C(C1c1ccc(cc1)C(C)(C)C)C#N)sc1c2cccc1

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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 C23H20N4S MW 384.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4S/c1-23(2,3)15-10-8-14(9-11-15)20-16(12-24)21(26)27-18-6-4-5-7-19(18)28-22(27)17(20)13-25/h4-11,20H,26H2,1-3H3
InChIKey
LECLIAKNHMYRDU-UHFFFAOYSA-N
Synonyms
725703-58-2
1amino3(4tertbutylphenyl)3Hpyrido(21b)(13)benzothiazole24dicarbonitrile
4AMINO2(4TERTBUTYLPHENYL)2H9THIA4AAZAFLUORENE13DICARBONITRILE
725703582
CC(C)(C)C1=CC=C(C=C1)C2C(=C(N3C4=CC=CC=C4SC3=C2C#N)N)C#N
InChI=1SC23H20N4Sc123(23)1510814(91115)2016(1224)21(26)2718645719(18)2822(27)17(20)1325h41120H26H213H3
MFCD06194422
ZINC000003885666
ZINC000003885667

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Available files

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