Vitas-M small molecule compound

1-(2-fluorophenyl)-6,6-dimethyl-3-propyl-1,5,6,7-tetrahydro-4H-indazol-4-one

Catalog ID
STK772272
SMILES CCCc1nn(c2c1C(=O)CC(C2)(C)C)c1ccccc1F

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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 C18H21FN2O MW 300.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21FN2O/c1-4-7-13-17-15(10-18(2,3)11-16(17)22)21(20-13)14-9-6-5-8-12(14)19/h5-6,8-9H,4,7,10-11H2,1-3H3
InChIKey
UEJLXWHHFUUQHB-UHFFFAOYSA-N
Synonyms

1(2fluorophenyl)66dimethyl3propyl1567tetrahydro4Hindazol4one
1(2FLUOROPHENYL)66DIMETHYL3PROPYL1H567TRIHYDROINDAZOL4ONE
1(2FLUOROPHENYL)66DIMETHYL3PROPYL57DIHYDROINDAZOL4ONE
CCCC1=NN(C2=C1C(=O)CC(C2)(C)C)C3=CC=CC=C3F
InChI=1SC18H21FN2Oc147131715(1018(23)1116(17)22)21(2013)14965812(14)19h5689H471011H213H3
MFCD03768678
ZINC000000107106
ZINC00107106
ZINC107106

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Available files

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