Vitas-M small molecule compound
(4Z)-4-({2,5-dimethyl-1-[4-(tricyclo[3.3.1.1~3,7~]dec-1-yl)phenyl]-1H-pyrrol-3-yl}methylidene)-5-methyl-2-phenyl-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STK161267
SMILES CC1=NN(C(=O)/C/1=C\c1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)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 C33H35N3O MW 489.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H35N3O/c1-21-13-27(17-31-22(2)34-36(32(31)37)30-7-5-4-6-8-30)23(3)35(21)29-11-9-28(10-12-29)33-18-24-14-25(19-33)16-26(15-24)20-33/h4-13,17,24-26H,14-16,18-20H2,1-3H3/b31-17-InChIKey
WYUBHUPJBJOLMI-LJUMEUDFSA-NSynonyms
(4Z)4((1(4(1ADAMANTYL)PHENYL)25DIMETHYLPYRROL3YL)METHYLIDENE)5METHYL2PHENYLPYRAZOL3ONE
(4Z)4((25dimethyl1(4(tricyclo(3311~37~)dec1yl)phenyl)1Hpyrrol3yl)methylidene)5methyl2phenyl24dihydro3Hpyrazol3one
4((1(4ADAMANTANYLPHENYL)25DIMETHYLPYRROL3YL)METHYLENE)3METHYL1PHENYL12DIAZOLIN5ONE
CC1=CC(=C(N1C2=CC=C(C=C2)C34CC5CC(C3)CC(C5)C4)C)C=C6C(=NN(C6=O)C7=CC=CC=C7)C
CC1=NN(C(=O)C1=Cc1cc(n(c1C)c1ccc(cc1)C12CC3CC(C2)CC(C1)C3)C)c1ccccc1
InChI=1SC33H35N3Oc1211327(173122(2)3436(32(31)37)307546830)23(3)35(21)2911928(101229)3318241425(1933)1626(1524)2033h413172426H14161820H213H3b3117
MFCD02193754
ZINC000012445259
ZINC12445259
Check stock
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Check stock on Vitas-MAvailable files
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