Vitas-M small molecule compound

N-benzyl-5-[4-(dimethylamino)phenyl]-3-(4-methylphenyl)-4,5-dihydro-1H-pyrazole-1-carbothioamide

Catalog ID
STK837006
SMILES Cc1ccc(cc1)C1=NN(C(C1)c1ccc(cc1)N(C)C)C(=S)NCc1ccccc1

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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 C26H28N4S MW 428.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4S/c1-19-9-11-21(12-10-19)24-17-25(22-13-15-23(16-14-22)29(2)3)30(28-24)26(31)27-18-20-7-5-4-6-8-20/h4-16,25H,17-18H2,1-3H3,(H,27,31)
InChIKey
HQSKSVJGEHEICZ-UHFFFAOYSA-N
Synonyms

(5(4(DIMETHYLAMINO)PHENYL)3(4METHYLPHENYL)(2PYRAZOLINYL))(BENZYLAMINO)METHANE1THIONE
CC1=CC=C(C=C1)C2=NN(C(C2)C3=CC=C(C=C3)N(C)C)C(=S)NCC4=CC=CC=C4
InChI=1SC26H28N4Sc11991121(121019)241725(22131523(161422)29(2)3)30(2824)26(31)2718207546820h41625H1718H213H3(H2731)
MFCD02712660
Nbenzyl3(4(dimethylamino)phenyl)5(4methylphenyl)34dihydropyrazole2carbothioamide
NBENZYL3(4DIMETHYLAMINOPHENYL)5(4METHYLPHENYL)34DIHYDROPYRAZOLE2CARBOTHIOAMIDE
Nbenzyl5(4(dimethylamino)phenyl)3(4methylphenyl)45dihydro1Hpyrazole1carbothioamide
Nbenzyl5(4(dimethylamino)phenyl)3(ptolyl)45dihydro1Hpyrazole1carbothioamide
ZINC000009310216
ZINC000009310217

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Available files

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