Vitas-M small molecule compound
4-[(4Z)-4-{4-[2-(benzylamino)-2-oxoethoxy]-3-methoxybenzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STL172375
SMILES COc1cc(ccc1OCC(=O)NCc1ccccc1)/C=C\1/C(=NN(C1=O)c1ccc(cc1)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 C28H25N3O6 MW 499.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O6/c1-18-23(27(33)31(30-18)22-11-9-21(10-12-22)28(34)35)14-20-8-13-24(25(15-20)36-2)37-17-26(32)29-16-19-6-4-3-5-7-19/h3-15H,16-17H2,1-2H3,(H,29,32)(H,34,35)/b23-14-InChIKey
UINWRRHZNZVSDE-UCQKPKSFSA-NSynonyms
445254-18-24((4Z)4((4(2(BENZYLAMINO)2OXOETHOXY)3METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(4(2(benzylamino)2oxoethoxy)3methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
445254182
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC(=O)NCC3=CC=CC=C3)OC)C4=CC=C(C=C4)C(=O)O
COc1cc(ccc1OCC(=O)NCc1ccccc1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC28H25N3O6c11823(27(33)31(3018)2211921(101222)28(34)35)142081324(25(1520)362)371726(32)2916196435719h315H1617H212H3(H2932)(H3435)b2314
MFCD02054540
ZINC000013915517
ZINC13915517
Check stock
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