Vitas-M small molecule compound

N'-[(E)-{2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene]-2-[3-(trifluoromethyl)phenyl]acetohydrazide

Catalog ID
STK192606
SMILES O=C(Cc1cccc(c1)C(F)(F)F)N/N=C/c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C

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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 C32H34F3N3O MW 533.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H34F3N3O/c1-20-10-26(19-36-37-30(39)15-22-4-3-5-28(14-22)32(33,34)35)21(2)38(20)29-8-6-27(7-9-29)31-16-23-11-24(17-31)13-25(12-23)18-31/h3-10,14,19,23-25H,11-13,15-18H2,1-2H3,(H,37,39)/b36-19+
InChIKey
FFSLBCVRPJTTJO-ODNPBWNPSA-N
Synonyms

CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=NNC(=O)CC6=CC(=CC=C6)C(F)(F)F
InChI=1SC32H34F3N3Oc1201026(19363730(39)152243528(1422)32(3334)35)21(2)38(20)298627(7929)3116231124(1731)1325(1223)1831h31014192325H11131518H212H3(H3739)b3619+
MFCD02602685
N((1E)2(1(4ADAMANTANYLPHENYL)25DIMETHYLPYRROL3YL)1AZAVINYL)2(3(TRIFLUOROMETHYL)PHENYL)ACETAMIDE
N((E)(1(4(1adamantyl)phenyl)25dimethylpyrrol3yl)methylideneamino)2(3(trifluoromethyl)phenyl)acetamide
N((E)(25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)methylidene)2(3(trifluoromethyl)phenyl)acetohydrazide
O=C(Cc1cccc(c1)C(F)(F)F)NN=Cc1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C
ZINC000004062354
ZINC33897731

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Available files

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