Vitas-M small molecule compound

N-{(1Z)-3-{[3-(1H-imidazol-1-yl)propyl]amino}-3-oxo-1-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]prop-1-en-2-yl}-4-methylbenzamide

Catalog ID
STL262860
SMILES Cc1ccc(cc1)C(=O)N/C(=C\c1cn(nc1c1cccs1)c1ccccc1)/C(=O)NCCCn1cncc1

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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 C30H28N6O2S MW 536.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28N6O2S/c1-22-10-12-23(13-11-22)29(37)33-26(30(38)32-14-6-16-35-17-15-31-21-35)19-24-20-36(25-7-3-2-4-8-25)34-28(24)27-9-5-18-39-27/h2-5,7-13,15,17-21H,6,14,16H2,1H3,(H,32,38)(H,33,37)/b26-19-
InChIKey
OROWOXJSZVKSSL-XHPQRKPJSA-N
Synonyms
385388-96-5
(2Z)N(3(1HIMIDAZOL1YL)PROPYL)2((4METHYLPHENYL)FORMAMIDO)3(1PHENYL3(THIOPHEN2YL)1HPYRAZOL4YL)PROP2ENAMIDE
(2Z)N(3IMIDAZOLYLPROPYL)2((4METHYLPHENYL)CARBONYLAMINO)3(1PHENYL3(2THIENYL)PYRAZOL4YL)PROP2ENAMIDE
(Z)N(3((3(1Himidazol1yl)propyl)amino)3oxo1(1phenyl3(thiophen2yl)1Hpyrazol4yl)prop1en2yl)4methylbenzamide
385388965
CC1=CC=C(C=C1)C(=O)NC(=CC2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)NCCCN5C=CN=C5
Cc1ccc(cc1)C(=O)NC(=Cc1cn(nc1c1cccs1)c1ccccc1)C(=O)NCCCn1cncc1
InChI=1SC30H28N6O2Sc122101223(131122)29(37)3326(30(38)3214616351715312135)19242036(257324825)3428(24)2795183927h25713151721H61416H21H3(H3238)(H3337)b2619
MFCD03285599
N((1Z)3((3(1Himidazol1yl)propyl)amino)3oxo1(1phenyl3(thiophen2yl)1Hpyrazol4yl)prop1en2yl)4methylbenzamide
N((Z)3(3IMIDAZOL1YLPROPYLAMINO)3OXO1(1PHENYL3THIOPHEN2YLPYRAZOL4YL)PROP1EN2YL)4METHYLBENZAMIDE
ZINC000100824258
ZINC100824258

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Available files

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