Vitas-M small molecule compound

ethyl 5-(1-methyl-1H-indol-3-yl)-3-phenyl-4,5-dihydro-1H-pyrazole-1-carboxylate

Catalog ID
STK542646
SMILES CCOC(=O)N1N=C(CC1c1cn(c2c1cccc2)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 C21H21N3O2 MW 347.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2/c1-3-26-21(25)24-20(13-18(22-24)15-9-5-4-6-10-15)17-14-23(2)19-12-8-7-11-16(17)19/h4-12,14,20H,3,13H2,1-2H3
InChIKey
USHWSLSTYOFRCV-UHFFFAOYSA-N
Synonyms
497077-42-6
497077426
CCOC(=O)N1C(CC(=N1)C2=CC=CC=C2)C3=CN(C4=CC=CC=C43)C
ETHYL3(1METHYLINDOL3YL)5PHENYL34DIHYDROPYRAZOLE2CARBOXYLATE
ethyl5(1methyl1Hindol3yl)3phenyl45dihydro1Hpyrazole1carboxylate
InChI=1SC21H21N3O2c132621(25)2420(1318(2224)1595461015)171423(2)1912871116(17)19h4121420H313H212H3
MFCD03299300
ZINC000000549774
ZINC000000549775

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Available files

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