Vitas-M small molecule compound

N-[(1Z)-1-[3-(4-bromophenyl)-1-phenyl-1H-pyrazol-4-yl]-3-oxo-3-(piperidin-1-yl)prop-1-en-2-yl]benzamide

Catalog ID
STK794382
SMILES Brc1ccc(cc1)c1nn(cc1/C=C(/C(=O)N1CCCCC1)\NC(=O)c1ccccc1)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 C30H27BrN4O2 MW 555.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27BrN4O2/c31-25-16-14-22(15-17-25)28-24(21-35(33-28)26-12-6-2-7-13-26)20-27(30(37)34-18-8-3-9-19-34)32-29(36)23-10-4-1-5-11-23/h1-2,4-7,10-17,20-21H,3,8-9,18-19H2,(H,32,36)/b27-20-
InChIKey
KLUPRQXXTMQRLZ-OOAXWGSJSA-N
Synonyms

(Z)N(1(3(4bromophenyl)1phenyl1Hpyrazol4yl)3oxo3(piperidin1yl)prop1en2yl)benzamide
Brc1ccc(cc1)c1nn(cc1C=C(C(=O)N1CCCCC1)NC(=O)c1ccccc1)c1ccccc1
C1CCN(CC1)C(=O)C(=CC2=CN(N=C2C3=CC=C(C=C3)Br)C4=CC=CC=C4)NC(=O)C5=CC=CC=C5
InChI=1SC30H27BrN4O2c3125161422(151725)2824(2135(3328)26126271326)2027(30(37)34188391934)3229(36)23104151123h124710172021H3891819H2(H3236)b2720
MFCD03284779
N((1Z)1(3(4bromophenyl)1phenyl1Hpyrazol4yl)3oxo3(piperidin1yl)prop1en2yl)benzamide
N((Z)1(3(4bromophenyl)1phenylpyrazol4yl)3oxo3piperidin1ylprop1en2yl)benzamide
N(1((3(4BROMOPHENYL)1PHENYLPYRAZOL4YL)METHYLENE)2OXO2PIPERIDYLETHYL)BENZAMIDE
ZINC000097947570
ZINC97947570

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Available files

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