Vitas-M small molecule compound
2-{2-methoxy-4-[(E)-(3-methyl-5-oxo-1-phenyl-1,5-dihydro-4H-pyrazol-4-ylidene)methyl]phenoxy}-N-(3-methylphenyl)acetamide
Catalog ID
STL357846
SMILES COc1cc(ccc1OCC(=O)Nc1cccc(c1)C)/C=C/1\C(=NN(C1=O)c1ccccc1)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 C27H25N3O4 MW 455.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H25N3O4/c1-18-8-7-9-21(14-18)28-26(31)17-34-24-13-12-20(16-25(24)33-3)15-23-19(2)29-30(27(23)32)22-10-5-4-6-11-22/h4-16H,17H2,1-3H3,(H,28,31)/b23-15+InChIKey
LJUKBIVLFSPBDG-HZHRSRAPSA-NSynonyms
2(2methoxy4((E)(3methyl5oxo1phenyl15dihydro4Hpyrazol4ylidene)methyl)phenoxy)N(3methylphenyl)acetamide
2(2METHOXY4((E)(3METHYL5OXO1PHENYLPYRAZOL4YLIDENE)METHYL)PHENOXY)N(3METHYLPHENYL)ACETAMIDE
CC1=CC(=CC=C1)NC(=O)COC2=C(C=C(C=C2)C=C3C(=NN(C3=O)C4=CC=CC=C4)C)OC
COc1cc(ccc1OCC(=O)Nc1cccc(c1)C)C=C1C(=NN(C1=O)c1ccccc1)C
InChI=1SC27H25N3O4c11887921(1418)2826(31)173424131220(1625(24)333)152319(2)2930(27(23)32)22105461122h416H17H213H3(H2831)b2315+
MFCD05041356
ZINC000015009042
ZINC15009042
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