Vitas-M small molecule compound
3-{2-(3,4-dimethoxyphenyl)-4-hydroxy-5-oxo-3-[(2E)-3-phenylprop-2-enoyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STL438506
SMILES COc1cc(ccc1OC)C1N(c2cccc(c2)C(=O)O)C(=O)C(=C1C(=O)/C=C/c1ccccc1)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 C28H23NO7 MW 485.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H23NO7/c1-35-22-14-12-18(16-23(22)36-2)25-24(21(30)13-11-17-7-4-3-5-8-17)26(31)27(32)29(25)20-10-6-9-19(15-20)28(33)34/h3-16,25,31H,1-2H3,(H,33,34)/b13-11+InChIKey
DBQPLZZVZIOYBC-ACCUITESSA-NSynonyms
332125-70-9(E)3(3cinnamoyl2(34dimethoxyphenyl)4hydroxy5oxo25dihydro1Hpyrrol1yl)benzoicacid
3(2(34dimethoxyphenyl)4hydroxy5oxo3((2E)3phenylprop2enoyl)25dihydro1Hpyrrol1yl)benzoicacid
3(2(34DIMETHOXYPHENYL)4HYDROXY5OXO3((E)3PHENYLPROP2ENOYL)2HPYRROL1YL)BENZOICACID
332125709
COC1=C(C=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)C=CC4=CC=CC=C4)OC
COc1cc(ccc1OC)C1N(c2cccc(c2)C(=O)O)C(=O)C(=C1C(=O)C=Cc1ccccc1)O
InChI=1SC28H23NO7c13522141218(1623(22)362)2524(21(30)1311177435817)26(31)27(32)29(25)20106919(1520)28(33)34h3162531H12H3(H3334)b1311+
MFCD02044195
ZINC000019866191
ZINC000100748048
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