Vitas-M small molecule compound
(E)-[1-(1,3-benzothiazol-3-ium-2-yl)-2-(2,4-dichlorophenyl)-4,5-dioxopyrrolidin-3-ylidene](4-methylphenyl)methanolate
Catalog ID
STL038868
SMILES Cc1ccc(cc1)/C(=C\1/C(c2ccc(cc2Cl)Cl)N(C(=O)C1=O)c1sc2c([nH+]1)cccc2)/[O-]
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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 C25H16Cl2N2O3S MW 495.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H16Cl2N2O3S/c1-13-6-8-14(9-7-13)22(30)20-21(16-11-10-15(26)12-17(16)27)29(24(32)23(20)31)25-28-18-4-2-3-5-19(18)33-25/h2-12,21,30H,1H3/b22-20+InChIKey
KROXEQSJRAEREW-LSDHQDQOSA-NSynonyms
488725-47-9(4E)1(13BENZOTHIAZOL2YL)5(24DICHLOROPHENYL)4(HYDROXY(4METHYLPHENYL)METHYLIDENE)PYRROLIDINE23DIONE
(E)(1(13benzothiazol3ium2yl)2(24dichlorophenyl)45dioxopyrrolidin3ylidene)(4methylphenyl)methanolate
488725479
CC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC4=CC=CC=C4S3)C5=C(C=C(C=C5)Cl)Cl)O
Cc1ccc(cc1)C(=C1C(c2ccc(cc2Cl)Cl)N(C(=O)C1=O)c1sc2c((nH+)1)cccc2)(O)
InChI=1SC25H16Cl2N2O3Sc1136814(9713)22(30)2021(16111015(26)1217(16)27)29(24(32)23(20)31)252818423519(18)3325h2122130H1H3b2220+
MFCD18247716
ZINC000102862411
ZINC000102862413
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