Vitas-M small molecule compound
3-{3-[(E)-{(2E)-2-[(4-ethylphenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STL380171
SMILES CCc1ccc(cc1)/N=C/1\NC(=O)/C(=C\c2cc(n(c2C)c2cccc(c2)C(=O)O)C)/S1
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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 C25H23N3O3S MW 445.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O3S/c1-4-17-8-10-20(11-9-17)26-25-27-23(29)22(32-25)14-19-12-15(2)28(16(19)3)21-7-5-6-18(13-21)24(30)31/h5-14H,4H2,1-3H3,(H,30,31)(H,26,27,29)/b22-14+InChIKey
FUSNXUJZFDXTQJ-HYARGMPZSA-NSynonyms
3(3((E)((2E)2((4ethylphenyl)imino)4oxo13thiazolidin5ylidene)methyl)25dimethyl1Hpyrrol1yl)benzoicacid
3(3((E)(2(4ETHYLANILINO)4OXO13THIAZOL5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
CCC1=CC=C(C=C1)NC2=NC(=O)C(=CC3=C(N(C(=C3)C)C4=CC=CC(=C4)C(=O)O)C)S2
CCc1ccc(cc1)N=C1NC(=O)C(=Cc2cc(n(c2C)c2cccc(c2)C(=O)O)C)S1
InChI=1SC25H23N3O3Sc141781020(11917)26252723(29)22(3225)14191215(2)28(16(19)3)2175618(1321)24(30)31h514H4H213H3(H3031)(H262729)b2214+
MFCD05041954
ZINC000016161397
ZINC16161397
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