Vitas-M small molecule compound
(4E)-4-{[(4-acetylphenyl)amino]methylidene}-5-methyl-2-{4-[(3s,5s,7s)-tricyclo[3.3.1.1~3,7~]dec-1-yl]phenyl}-2,4-dihydro-3H-pyrazol-3-one
Catalog ID
STL295802
SMILES CC1=NN(C(=O)/C/1=C/Nc1ccc(cc1)C(=O)C)c1ccc(cc1)C12C[C@@H]3C[C@H](C2)C[C@H](C1)C3
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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 C29H31N3O2 MW 453.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N3O2/c1-18-27(17-30-25-7-3-23(4-8-25)19(2)33)28(34)32(31-18)26-9-5-24(6-10-26)29-14-20-11-21(15-29)13-22(12-20)16-29/h3-10,17,20-22,30H,11-16H2,1-2H3/b27-17+/t20-,21+,22-,29?InChIKey
YQEQYDDKDZALRX-FRWGXWIDSA-NSynonyms
(4E)4(((4acetylphenyl)amino)methylidene)5methyl2(4((3s5s7s)tricyclo(3311~37~)dec1yl)phenyl)24dihydro3Hpyrazol3one
CC1=NN(C(=O)C1=CNc1ccc(cc1)C(=O)C)c1ccc(cc1)C12C(C@@H)3C(C@H)(C2)C(C@H)(C1)C3
ZINC000101122885
Check stock
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Check stock on Vitas-MAvailable files
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