Vitas-M small molecule compound

1-[(7E)-7-(4-methoxybenzylidene)-3-(4-methoxyphenyl)-3,3a,4,5,6,7-hexahydro-2H-indazol-2-yl]-2-[5-methyl-3-(trifluoromethyl)-1H-pyrazol-1-yl]ethanone

Catalog ID
STL394723
SMILES COc1ccc(cc1)C1N(N=C2C1CCC/C/2=C\c1ccc(cc1)OC)C(=O)Cn1nc(cc1C)C(F)(F)F

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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 C29H29F3N4O3 MW 538.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H29F3N4O3/c1-18-15-25(29(30,31)32)33-35(18)17-26(37)36-28(20-9-13-23(39-3)14-10-20)24-6-4-5-21(27(24)34-36)16-19-7-11-22(38-2)12-8-19/h7-16,24,28H,4-6,17H2,1-3H3/b21-16+
InChIKey
FDRUPKQLTHUXBZ-LTGZKZEYSA-N
Synonyms
512817-63-9
1((7E)3(4METHOXYPHENYL)7((4METHOXYPHENYL)METHYLIDENE)3A456TETRAHYDRO3HINDAZOL2YL)2(5METHYL3(TRIFLUOROMETHYL)PYRAZOL1YL)ETHANONE
1((7E)7(4methoxybenzylidene)3(4methoxyphenyl)33a4567hexahydro2Hindazol2yl)2(5methyl3(trifluoromethyl)1Hpyrazol1yl)ethanone
512817639
CC1=CC(=NN1CC(=O)N2C(C3CCCC(=CC4=CC=C(C=C4)OC)C3=N2)C5=CC=C(C=C5)OC)C(F)(F)F
COc1ccc(cc1)C1N(N=C2C1CCCC2=Cc1ccc(cc1)OC)C(=O)Cn1nc(cc1C)C(F)(F)F
InChI=1SC29H29F3N4O3c1181525(29(3031)32)3335(18)1726(37)3628(2091323(393)141020)2464521(27(24)3436)161971122(382)12819h7162428H4617H213H3b2116+
MFCD03468106
ZINC000008455329
ZINC000008455332

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Available files

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