Vitas-M small molecule compound
4-{(Z)-[4-(ethoxycarbonyl)-5-methyl-2-oxo-1-phenyl-1,2-dihydro-3H-pyrrol-3-ylidene]methyl}benzoic acid
Catalog ID
STK160326
SMILES CCOC(=O)C1=C(C)N(C(=O)/C/1=C\c1ccc(cc1)C(=O)O)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 C22H19NO5 MW 377.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19NO5/c1-3-28-22(27)19-14(2)23(17-7-5-4-6-8-17)20(24)18(19)13-15-9-11-16(12-10-15)21(25)26/h4-13H,3H2,1-2H3,(H,25,26)/b18-13-InChIKey
UNGCOZQVRKBFPA-AQTBWJFISA-NSynonyms
4((Z)(4(ETHOXYCARBONYL)5METHYL2OXO1PHENYL12DIHYDRO3HPYRROL3YLIDENE)METHYL)BENZOICACID
4((Z)(4ETHOXYCARBONYL5METHYL2OXO1PHENYLPYRROL3YLIDENE)METHYL)BENZOICACID
CCOC(=O)C1=C(C)N(C(=O)C1=Cc1ccc(cc1)C(=O)O)c1ccccc1
CCOC(=O)C1=C(N(C(=O)C1=CC2=CC=C(C=C2)C(=O)O)C3=CC=CC=C3)C
InChI=1SC22H19NO5c132822(27)1914(2)23(177546817)20(24)18(19)131591116(121015)21(25)26h413H3H212H3(H2526)b1813
MFCD03710925
ZINC000014009211
ZINC14009211
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