Vitas-M small molecule compound

N-benzyl-3,5-bis(4-bromophenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

Catalog ID
STK997896
SMILES Brc1ccc(cc1)C1CC(=NN1C(=S)NCc1ccccc1)c1ccc(cc1)Br

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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 C23H19Br2N3S MW 529.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19Br2N3S/c24-19-10-6-17(7-11-19)21-14-22(18-8-12-20(25)13-9-18)28(27-21)23(29)26-15-16-4-2-1-3-5-16/h1-13,22H,14-15H2,(H,26,29)
InChIKey
JDAXUVNSDGXZHJ-UHFFFAOYSA-N
Synonyms
394229-89-1
394229891
C1C(N(N=C1C2=CC=C(C=C2)Br)C(=S)NCC3=CC=CC=C3)C4=CC=C(C=C4)Br
InChI=1SC23H19Br2N3Sc241910617(71119)211422(1881220(25)13918)28(2721)23(29)2615164213516h11322H1415H2(H2629)
MFCD03669998
NBENZYL35BIS(4BROMOPHENYL)34DIHYDROPYRAZOLE2CARBOTHIOAMIDE
Nbenzyl35bis(4bromophenyl)45dihydro1Hpyrazole1carbothioamide
ZINC000011852375
ZINC000011852376

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Available files

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