Vitas-M small molecule compound

(2E)-N-[4-(4-chlorophenyl)-1,3-thiazol-2-yl]-2-cyano-3-[4-(dimethylamino)phenyl]prop-2-enamide

Catalog ID
STK021053
SMILES N#C/C(=C\c1ccc(cc1)N(C)C)/C(=O)Nc1scc(n1)c1ccc(cc1)Cl

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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 C21H17ClN4OS MW 408.91 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4OS/c1-26(2)18-9-3-14(4-10-18)11-16(12-23)20(27)25-21-24-19(13-28-21)15-5-7-17(22)8-6-15/h3-11,13H,1-2H3,(H,24,25,27)/b16-11+
InChIKey
PSFUJYUSGYXBLP-LFIBNONCSA-N
Synonyms

(2E)N(4(4CHLOROPHENYL)13THIAZOL2YL)2CYANO3(4(DIMETHYLAMINO)PHENYL)PROP2ENAMIDE
(E)N(4(4chlorophenyl)13thiazol2yl)2cyano3(4(dimethylamino)phenyl)prop2enamide
(E)N(4(4CHLOROPHENYL)13THIAZOL2YL)2CYANO3(4DIMETHYLAMINOPHENYL)PROP2ENAMIDE
CN(C)C1=CC=C(C=C1)C=C(C#N)C(=O)NC2=NC(=CS2)C3=CC=C(C=C3)Cl
InChI=1SC21H17ClN4OSc126(2)189314(41018)1116(1223)20(27)25212419(132821)155717(22)8615h31113H12H3(H242527)b1611+
MFCD08049853
N#CC(=Cc1ccc(cc1)N(C)C)C(=O)Nc1scc(n1)c1ccc(cc1)Cl
STK021053
ZINC000004561516
ZINC04561516
ZINC4561516

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Available files

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