Vitas-M small molecule compound
4-{(4Z)-4-[4-(2-amino-2-oxoethoxy)-3-bromo-5-methoxybenzylidene]-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl}benzoic acid
Catalog ID
STK958442
SMILES COc1cc(/C=C\2/C(=NN(C2=O)c2ccc(cc2)C(=O)O)C)cc(c1OCC(=O)N)Br
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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 C21H18BrN3O6 MW 488.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18BrN3O6/c1-11-15(20(27)25(24-11)14-5-3-13(4-6-14)21(28)29)7-12-8-16(22)19(17(9-12)30-2)31-10-18(23)26/h3-9H,10H2,1-2H3,(H2,23,26)(H,28,29)/b15-7-InChIKey
YEWZGMDPRHBUAT-CHHVJCJISA-NSynonyms
353770-29-3353770293
4((4Z)4((4(2AMINO2OXOETHOXY)3BROMO5METHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(4(2amino2oxoethoxy)3bromo5methoxybenzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
4(4(4(2AMINO2OXOETHOXY)3BROMO5METHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CC1=NN(C(=O)C1=CC2=CC(=C(C(=C2)Br)OCC(=O)N)OC)C3=CC=C(C=C3)C(=O)O
COc1cc(C=C2C(=NN(C2=O)c2ccc(cc2)C(=O)O)C)cc(c1OCC(=O)N)Br
InChI=1SC21H18BrN3O6c11115(20(27)25(2411)145313(4614)21(28)29)712816(22)19(17(912)302)311018(23)26h39H10H212H3(H22326)(H2829)b157
MFCD01921559
ZINC000013914270
ZINC13914270
Check stock
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