Vitas-M small molecule compound
2-chloro-5-{[(5E)-5-{[5-(4,5-dimethyl-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-4,5-dihydro-1,3-thiazol-2-yl]amino}benzoic acid
Catalog ID
STL367850
SMILES O=C1N=C(S/C/1=C/c1ccc(o1)c1cc(C)c(cc1[N+](=O)[O-])C)Nc1ccc(c(c1)C(=O)O)Cl
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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 C23H16ClN3O6S MW 497.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H16ClN3O6S/c1-11-7-16(18(27(31)32)8-12(11)2)19-6-4-14(33-19)10-20-21(28)26-23(34-20)25-13-3-5-17(24)15(9-13)22(29)30/h3-10H,1-2H3,(H,29,30)(H,25,26,28)/b20-10+InChIKey
RTHRCOIONCZINZ-KEBDBYFISA-NSynonyms
2chloro5(((5E)5((5(45dimethyl2nitrophenyl)furan2yl)methylidene)4oxo13thiazol2yl)amino)benzoicacid
2chloro5(((5E)5((5(45dimethyl2nitrophenyl)furan2yl)methylidene)4oxo45dihydro13thiazol2yl)amino)benzoicacid
CC1=C(C=C(C(=C1)C2=CC=C(O2)C=C3C(=O)N=C(S3)NC4=CC(=C(C=C4)Cl)C(=O)O)(N+)(=O)(O))C
InChI=1SC23H16ClN3O6Sc111716(18(27(31)32)812(11)2)196414(3319)102021(28)2623(3420)25133517(24)15(913)22(29)30h310H12H3(H2930)(H252628)b2010+
MFCD28951951
O=C1N=C(SC1=Cc1ccc(o1)c1cc(C)c(cc1(N+)(=O)(O))C)Nc1ccc(c(c1)C(=O)O)Cl
ZINC000033909199
ZINC33909199
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