Vitas-M small molecule compound

(2E)-N-{[4-(4-butanoylpiperazin-1-yl)phenyl]carbamothioyl}-3-phenylprop-2-enamide

Catalog ID
STK252065
SMILES CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)/C=C/c1ccccc1

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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 C24H28N4O2S MW 436.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H28N4O2S/c1-2-6-23(30)28-17-15-27(16-18-28)21-12-10-20(11-13-21)25-24(31)26-22(29)14-9-19-7-4-3-5-8-19/h3-5,7-14H,2,6,15-18H2,1H3,(H2,25,26,29,31)/b14-9+
InChIKey
RONHOBVUIAZUDV-NTEUORMPSA-N
Synonyms

(2E)N(((4(4BUTANOYLPIPERAZINYL)PHENYL)AMINO)THIOXOMETHYL)3PHENYLPROP2ENAMIDE
(2E)N((4(4BUTANOYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
(E)N((4(4BUTANOYLPIPERAZIN1YL)PHENYL)CARBAMOTHIOYL)3PHENYLPROP2ENAMIDE
CCCC(=O)N1CCN(CC1)c1ccc(cc1)NC(=S)NC(=O)C=Cc1ccccc1
CCCC(=O)N1CCN(CC1)C2=CC=C(C=C2)NC(=S)NC(=O)C=CC3=CC=CC=C3
InChI=1SC24H28N4O2Sc12623(30)28171527(161828)21121020(111321)2524(31)2622(29)149197435819h35714H261518H21H3(H225262931)b149+
MFCD03650254
ZINC000004121802
ZINC04121802
ZINC4121802

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Available files

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