Vitas-M small molecule compound
4-[(4Z)-4-{3-ethoxy-4-[(phenylcarbonyl)oxy]benzylidene}-3-methyl-5-oxo-4,5-dihydro-1H-pyrazol-1-yl]benzoic acid
Catalog ID
STK958443
SMILES CCOc1cc(ccc1OC(=O)c1ccccc1)/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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-3-34-24-16-18(9-14-23(24)35-27(33)20-7-5-4-6-8-20)15-22-17(2)28-29(25(22)30)21-12-10-19(11-13-21)26(31)32/h4-16H,3H2,1-2H3,(H,31,32)/b22-15-InChIKey
DDSXUOGVNAWSAY-JCMHNJIXSA-NSynonyms
353770-30-6353770306
4((4Z)4((4BENZOYLOXY3ETHOXYPHENYL)METHYLIDENE)3METHYL5OXOPYRAZOL1YL)BENZOICACID
4((4Z)4(3ethoxy4((phenylcarbonyl)oxy)benzylidene)3methyl5oxo45dihydro1Hpyrazol1yl)benzoicacid
4(4(4(BENZOYLOXY)3ETHOXYBENZYLIDENE)3METHYL5OXO45DIHYDRO1HPYRAZOL1YL)BENZOICACID
CCOC1=C(C=CC(=C1)C=C2C(=NN(C2=O)C3=CC=C(C=C3)C(=O)O)C)OC(=O)C4=CC=CC=C4
CCOc1cc(ccc1OC(=O)c1ccccc1)C=C1C(=NN(C1=O)c1ccc(cc1)C(=O)O)C
InChI=1SC27H22N2O6c1334241618(91423(24)3527(33)207546820)152217(2)2829(25(22)30)21121019(111321)26(31)32h416H3H212H3(H3132)b2215
MFCD02054482
ZINC000003864247
ZINC3864247
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