Vitas-M small molecule compound
4-{(4Z)-4-[3-methoxy-4-(2-methylpropoxy)benzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK039701
SMILES COc1cc(ccc1OCC(C)C)/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 C23H24N2O5 MW 408.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5/c1-14(2)13-30-20-10-5-16(12-21(20)29-4)11-19-15(3)24-25(22(19)26)18-8-6-17(7-9-18)23(27)28/h5-12,14H,13H2,1-4H3,(H,27,28)/b19-11-InChIKey
OPEBOSNZESWIPC-ODLFYWEKSA-NSynonyms
4((4Z)4((3METHOXY4(2METHYLPROPOXY)PHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(3METHOXY4(2METHYLPROPOXY)BENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=CC2=CC(=C(C=C2)OCC(C)C)OC)C3=CC=C(C=C3)C(=O)O
COc1cc(ccc1OCC(C)C)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC23H24N2O5c114(2)13302010516(1221(20)294)111915(3)2425(22(19)26)188617(7918)23(27)28h51214H13H214H3(H2728)b1911
MFCD04083763
STK039701
ZINC000013942338
ZINC13942338
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