Vitas-M small molecule compound

1-(1H-benzimidazol-2-yl)-6-(4-chlorophenyl)-3-methyl-1,5,6,7-tetrahydro-4H-indazol-4-one

Catalog ID
STK357206
SMILES Clc1ccc(cc1)C1CC(=O)c2c(C1)n(nc2C)c1nc2c([nH]1)cccc2

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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 C21H17ClN4O MW 376.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17ClN4O/c1-12-20-18(10-14(11-19(20)27)13-6-8-15(22)9-7-13)26(25-12)21-23-16-4-2-3-5-17(16)24-21/h2-9,14H,10-11H2,1H3,(H,23,24)
InChIKey
GMHVULFIUFZJAH-UHFFFAOYSA-N
Synonyms
1010897-54-7
1(1Hbenzimidazol2yl)6(4chlorophenyl)3methyl1567tetrahydro4Hindazol4one
1(1Hbenzimidazol2yl)6(4chlorophenyl)3methyl67dihydro5Hindazol4one
1(1Hbenzo(d)imidazol2yl)6(4chlorophenyl)3methyl67dihydro1Hindazol4(5H)one
1010897547
1BENZIMIDAZOL2YL6(4CHLOROPHENYL)3METHYL1H567TRIHYDROINDAZOL4ONE
CC1=NN(C2=C1C(=O)CC(C2)C3=CC=C(C=C3)Cl)C4=NC5=CC=CC=C5N4
Clc1ccc(cc1)C1CC(=O)c2c(C1)n(nc2C)c1nc2c((nH)1)cccc2
InChI=1SC21H17ClN4Oc1122018(1014(1119(20)27)136815(22)9713)26(2512)212316423517(16)2421h2914H1011H21H3(H2324)
MFCD10479264
ZINC000012323603
ZINC000012323604

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Available files

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