Vitas-M small molecule compound

6-chloro-N-({4-[(2E)-3-phenylprop-2-en-1-yl]piperazin-1-yl}carbonothioyl)pyridine-3-carboxamide

Catalog ID
STK549985
SMILES S=C(N1CCN(CC1)C/C=C/c1ccccc1)NC(=O)c1ccc(nc1)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 C20H21ClN4OS MW 400.93 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21ClN4OS/c21-18-9-8-17(15-22-18)19(26)23-20(27)25-13-11-24(12-14-25)10-4-7-16-5-2-1-3-6-16/h1-9,15H,10-14H2,(H,23,26,27)/b7-4+
InChIKey
BRDRJVRTIZIWFA-QPJJXVBHSA-N
Synonyms
799827-62-6
(E)6chloroN(4cinnamylpiperazine1carbonothioyl)nicotinamide
6CHLORANYLN(4((E)3PHENYLPROP2ENYL)PIPERAZIN1YL)CARBOTHIOYLPYRIDINE3CARBOXAMIDE
6chloroN((4((2E)3phenylprop2en1yl)piperazin1yl)carbonothioyl)pyridine3carboxamide
6CHLORON((4((E)3PHENYLPROP2ENYL)1PIPERAZINYL)SULFANYLIDENEMETHYL)3PYRIDINECARBOXAMIDE
6CHLORON(4((E)3PHENYLALLYL)PIPERAZINE1CARBOTHIOYL)NICOTINAMIDE
6CHLORON(4((E)3PHENYLPROP2ENYL)PIPERAZINE1CARBOTHIOYL)PYRIDINE3CARBOXAMIDE
6CHLORON(4((E)CINNAMYL)PIPERAZINE1CARBOTHIOYL)NICOTINAMIDE
799827626
C1CN(CCN1CC=CC2=CC=CC=C2)C(=S)NC(=O)C3=CN=C(C=C3)Cl
InChI=1SC20H21ClN4OSc21189817(152218)19(26)2320(27)25131124(121425)1047165213616h1915H1014H2(H232627)b74+
MFCD03683590
S=C(N1CCN(CC1)CC=Cc1ccccc1)NC(=O)c1ccc(nc1)Cl
ZINC000020191711
ZINC20191711

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Available files

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