Vitas-M small molecule compound
3-{3-hydroxy-2-oxo-4-[(2E)-3-phenylprop-2-enoyl]-5-[4-(propan-2-yl)phenyl]-2,5-dihydro-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STL438507
SMILES O=C(C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc(c1)C(=O)O)/C=C/c1ccccc1
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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 C29H25NO5 MW 467.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25NO5/c1-18(2)20-12-14-21(15-13-20)26-25(24(31)16-11-19-7-4-3-5-8-19)27(32)28(33)30(26)23-10-6-9-22(17-23)29(34)35/h3-18,26,32H,1-2H3,(H,34,35)/b16-11+InChIKey
ZLZXDIHMUKLPJG-LFIBNONCSA-NSynonyms
370583-27-0(E)3(3cinnamoyl4hydroxy2(4isopropylphenyl)5oxo25dihydro1Hpyrrol1yl)benzoicacid
3(3hydroxy2oxo4((2E)3phenylprop2enoyl)5(4(propan2yl)phenyl)25dihydro1Hpyrrol1yl)benzoicacid
3(4HYDROXY5OXO3((E)3PHENYLPROP2ENOYL)2(4PROPAN2YLPHENYL)2HPYRROL1YL)BENZOICACID
370583270
CC(C)C1=CC=C(C=C1)C2C(=C(C(=O)N2C3=CC=CC(=C3)C(=O)O)O)C(=O)C=CC4=CC=CC=C4
InChI=1SC29H25NO5c118(2)20121421(151320)2625(24(31)1611197435819)27(32)28(33)30(26)23106922(1723)29(34)35h3182632H12H3(H3435)b1611+
MFCD02161340
O=C(C1=C(O)C(=O)N(C1c1ccc(cc1)C(C)C)c1cccc(c1)C(=O)O)C=Cc1ccccc1
ZINC000020052388
ZINC000020052391
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