Vitas-M small molecule compound
4-{(4Z)-3-methyl-4-[4-(morpholin-4-yl)benzylidene]-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK049472
SMILES CC1=NN(C(=O)/C/1=C\c1ccc(cc1)N1CCOCC1)c1ccc(cc1)C(=O)O
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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 C22H21N3O4 MW 391.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O4/c1-15-20(14-16-2-6-18(7-3-16)24-10-12-29-13-11-24)21(26)25(23-15)19-8-4-17(5-9-19)22(27)28/h2-9,14H,10-13H2,1H3,(H,27,28)/b20-14-InChIKey
NFFTZBZVZMUSKP-ZHZULCJRSA-NSynonyms
4((4Z)3METHYL4((4MORPHOLIN4YLPHENYL)METHYLIDENE)5OXOPYRAZOL1YL)BENZOICACID
4((4Z)3METHYL4(4(MORPHOLIN4YL)BENZYLIDENE)5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=Cc1ccc(cc1)N1CCOCC1)c1ccc(cc1)C(=O)O
CC1=NN(C(=O)C1=CC2=CC=C(C=C2)N3CCOCC3)C4=CC=C(C=C4)C(=O)O
InChI=1SC22H21N3O4c11520(14162618(7316)24101229131124)21(26)25(2315)198417(5919)22(27)28h2914H1013H21H3(H2728)b2014
MFCD01828624
STK049472
ZINC000013943448
ZINC13943448
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