Vitas-M small molecule compound
(2E)-4-[3-(1,3-benzodioxol-5-yl)-5-(2-hydroxy-3-methoxyphenyl)-4,5-dihydro-1H-pyrazol-1-yl]-4-oxobut-2-enoic acid
Catalog ID
STL200289
SMILES COc1cccc(c1O)C1CC(=NN1C(=O)/C=C/C(=O)O)c1ccc2c(c1)OCO2
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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 C21H18N2O7 MW 410.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H18N2O7/c1-28-17-4-2-3-13(21(17)27)15-10-14(22-23(15)19(24)7-8-20(25)26)12-5-6-16-18(9-12)30-11-29-16/h2-9,15,27H,10-11H2,1H3,(H,25,26)/b8-7+InChIKey
JDRDENFPAMJYQC-BQYQJAHWSA-NSynonyms
1403234-78-5(2E)4(3(13benzodioxol5yl)5(2hydroxy3methoxyphenyl)45dihydro1Hpyrazol1yl)4oxobut2enoicacid
(E)4(5(13benzodioxol5yl)3(2hydroxy3methoxyphenyl)34dihydropyrazol2yl)4oxobut2enoicacid
1403234785
COC1=CC=CC(=C1O)C2CC(=NN2C(=O)C=CC(=O)O)C3=CC4=C(C=C3)OCO4
COc1cccc(c1O)C1CC(=NN1C(=O)C=CC(=O)O)c1ccc2c(c1)OCO2
InChI=1SC21H18N2O7c1281742313(21(17)27)151014(2223(15)19(24)7820(25)26)12561618(912)30112916h291527H1011H21H3(H2526)b87+
MFCD23700954
ZINC000080316181
ZINC000080316185
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