Vitas-M small molecule compound
6-{(E)-[(2E)-(5-{2-[(4-bromophenyl)amino]-2-oxoethyl}-4-oxo-1,3-thiazolidin-2-ylidene)hydrazinylidene]methyl}-2,3-dimethoxybenzoic acid
Catalog ID
STK594313
SMILES COc1c(OC)ccc(c1C(=O)O)/C=N/N=C/1\NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Br
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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 C21H19BrN4O6S MW 535.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19BrN4O6S/c1-31-14-8-3-11(17(20(29)30)18(14)32-2)10-23-26-21-25-19(28)15(33-21)9-16(27)24-13-6-4-12(22)5-7-13/h3-8,10,15H,9H2,1-2H3,(H,24,27)(H,29,30)(H,25,26,28)/b23-10+InChIKey
KTCBRFIAUWXXAX-AUEPDCJTSA-NSynonyms
6((E)((2E)(5(2((4bromophenyl)amino)2oxoethyl)4oxo13thiazolidin2ylidene)hydrazinylidene)methyl)23dimethoxybenzoicacid
6((E)((5(2(4bromoanilino)2oxoethyl)4oxo13thiazol2yl)hydrazinylidene)methyl)23dimethoxybenzoicacid
6((Z)((Z)(5(2((4bromophenyl)amino)2oxoethyl)4oxothiazolidin2ylidene)hydrazono)methyl)23dimethoxybenzoicacid
COC1=C(C(=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)NC3=CC=C(C=C3)Br)C(=O)O)OC
COc1c(OC)ccc(c1C(=O)O)C=NN=C1NC(=O)C(S1)CC(=O)Nc1ccc(cc1)Br
InChI=1SC21H19BrN4O6Sc131148311(17(20(29)30)18(14)322)102326212519(28)15(3321)916(27)24136412(22)5713h381015H9H212H3(H2427)(H2930)(H252628)b2310+
MFCD08735748
ZINC000002200619
ZINC000097968292
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