Vitas-M small molecule compound
{(2E)-2-[(2E)-{3-[(4-bromobenzyl)oxy]-4-methoxybenzylidene}hydrazinylidene]-4-oxo-1,3-thiazolidin-5-yl}acetic acid
Catalog ID
STK102735
SMILES COc1ccc(cc1OCc1ccc(cc1)Br)/C=N/N=C/1\NC(=O)C(S1)CC(=O)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 C20H18BrN3O5S MW 492.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O5S/c1-28-15-7-4-13(8-16(15)29-11-12-2-5-14(21)6-3-12)10-22-24-20-23-19(27)17(30-20)9-18(25)26/h2-8,10,17H,9,11H2,1H3,(H,25,26)(H,23,24,27)/b22-10+InChIKey
RTVWIGDCHGSSQE-LSHDLFTRSA-NSynonyms
((2E)2((2E)(3((4BROMOBENZYL)OXY)4METHOXYBENZYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZOLIDIN5YL)ACETICACID
2(2((2E)2((3((4bromophenyl)methoxy)4methoxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
COC1=C(C=C(C=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)OCC3=CC=C(C=C3)Br
COc1ccc(cc1OCc1ccc(cc1)Br)C=NN=C1NC(=O)C(S1)CC(=O)O
InChI=1SC20H18BrN3O5Sc128157413(816(15)2911122514(21)6312)102224202319(27)17(3020)918(25)26h281017H911H21H3(H2526)(H232427)b2210+
MFCD03447509
ZINC000009762530
ZINC000012463394
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