Vitas-M small molecule compound
5-[(3E)-3-{[5-(2,5-dichlorophenyl)furan-2-yl]methylidene}-2-oxo-5-phenyl-2,3-dihydro-1H-pyrrol-1-yl]-2-hydroxybenzoic acid
Catalog ID
STK198465
SMILES Clc1ccc(c(c1)c1ccc(o1)/C=C/1\C=C(N(C1=O)c1ccc(c(c1)C(=O)O)O)c1ccccc1)Cl
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We do not supply quantities above 5 g.
Structure and other identifiers
2D representation rendered from the SMILES, with core physicochemical data.Formula C28H17Cl2NO5 MW 518.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H17Cl2NO5/c29-18-6-9-23(30)21(14-18)26-11-8-20(36-26)12-17-13-24(16-4-2-1-3-5-16)31(27(17)33)19-7-10-25(32)22(15-19)28(34)35/h1-15,32H,(H,34,35)/b17-12+InChIKey
ZFNGXOSHKQVUCN-SFQUDFHCSA-NSynonyms
5((3E)3((5(25DICHLOROPHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYL23DIHYDRO1HPYRROL1YL)2HYDROXYBENZOICACID
5((3E)3((5(25DICHLOROPHENYL)FURAN2YL)METHYLIDENE)2OXO5PHENYLPYRROL1YL)2HYDROXYBENZOICACID
C1=CC=C(C=C1)C2=CC(=CC3=CC=C(O3)C4=C(C=CC(=C4)Cl)Cl)C(=O)N2C5=CC(=C(C=C5)O)C(=O)O
Clc1ccc(c(c1)c1ccc(o1)C=C1C=C(N(C1=O)c1ccc(c(c1)C(=O)O)O)c1ccccc1)Cl
InChI=1SC28H17Cl2NO5c29186923(30)21(1418)2611820(3626)12171324(164213516)31(27(17)33)1971025(32)22(1519)28(34)35h11532H(H3435)b1712+
MFCD02084287
ZINC000008872162
ZINC8872162
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