Vitas-M small molecule compound
3-[(4Z)-4-(3-bromo-4-ethoxy-5-methoxybenzylidene)-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK728430
SMILES CCOc1c(Br)cc(cc1OC)/C=C\1/C(=NN(C1=O)c1cccc(c1)C(=O)O)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 C21H19BrN2O5 MW 459.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN2O5/c1-4-29-19-17(22)9-13(10-18(19)28-3)8-16-12(2)23-24(20(16)25)15-7-5-6-14(11-15)21(26)27/h5-11H,4H2,1-3H3,(H,26,27)/b16-8-InChIKey
KMCLBAIBCIRTCJ-PXNMLYILSA-NSynonyms
(Z)3(4(3bromo4ethoxy5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
3((4Z)4((3BROMO4ETHOXY5METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
3((4Z)4(3bromo4ethoxy5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
CCOC1=C(C=C(C=C1Br)C=C2C(=NN(C2=O)C3=CC=CC(=C3)C(=O)O)C)OC
CCOc1c(Br)cc(cc1OC)C=C1C(=NN(C1=O)c1cccc(c1)C(=O)O)C
InChI=1SC21H19BrN2O5c14291917(22)913(1018(19)283)81612(2)2324(20(16)25)1575614(1115)21(26)27h511H4H213H3(H2627)b168
MFCD02614732
ZINC000009435800
ZINC9435800
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