Vitas-M small molecule compound
3-{3-[(Z)-{(2E)-2-[(4-bromophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}methyl]-2,5-dimethyl-1H-pyrrol-1-yl}benzoic acid
Catalog ID
STK157587
SMILES Brc1ccc(cc1)/N=C\1/S/C(=C\c2cc(n(c2C)c2cccc(c2)C(=O)O)C)/C(=O)N1
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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 C23H18BrN3O3S MW 496.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18BrN3O3S/c1-13-10-16(14(2)27(13)19-5-3-4-15(11-19)22(29)30)12-20-21(28)26-23(31-20)25-18-8-6-17(24)7-9-18/h3-12H,1-2H3,(H,29,30)(H,25,26,28)/b20-12-InChIKey
QMJVQNHKTBHWDF-NDENLUEZSA-NSynonyms
3(3((Z)((2E)2((4BROMOPHENYL)IMINO)4OXO13THIAZOLIDIN5YLIDENE)METHYL)25DIMETHYL1HPYRROL1YL)BENZOICACID
3(3((Z)(2(4BROMOANILINO)4OXO13THIAZOL5YLIDENE)METHYL)25DIMETHYLPYRROL1YL)BENZOICACID
Brc1ccc(cc1)N=C1SC(=Cc2cc(n(c2C)c2cccc(c2)C(=O)O)C)C(=O)N1
CC1=CC(=C(N1C2=CC=CC(=C2)C(=O)O)C)C=C3C(=O)N=C(S3)NC4=CC=C(C=C4)Br
InChI=1SC23H18BrN3O3Sc1131016(14(2)27(13)1953415(1119)22(29)30)122021(28)2623(3120)25188617(24)7918h312H12H3(H2930)(H252628)b2012
MFCD03719677
ZINC000009259673
ZINC9259673
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