Vitas-M small molecule compound
[(2E)-2-{(2E)-[4-(benzyloxy)-3-bromo-5-methoxybenzylidene]hydrazinylidene}-4-oxo-1,3-thiazolidin-5-yl]acetic acid
Catalog ID
STK106337
SMILES COc1cc(/C=N/N=C\2/SC(C(=O)N2)CC(=O)O)cc(c1OCc1ccccc1)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 C20H18BrN3O5S MW 492.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18BrN3O5S/c1-28-15-8-13(7-14(21)18(15)29-11-12-5-3-2-4-6-12)10-22-24-20-23-19(27)16(30-20)9-17(25)26/h2-8,10,16H,9,11H2,1H3,(H,25,26)(H,23,24,27)/b22-10+InChIKey
IEKURFJLVHJBRJ-LSHDLFTRSA-NSynonyms
((2E)2((2E)(4(BENZYLOXY)3BROMO5METHOXYBENZYLIDENE)HYDRAZINYLIDENE)4OXO13THIAZOLIDIN5YL)ACETICACID
2(2((2E)2((3bromo5methoxy4phenylmethoxyphenyl)methylidene)hydrazinyl)4oxo13thiazol5yl)aceticacid
COC1=C(C(=CC(=C1)C=NNC2=NC(=O)C(S2)CC(=O)O)Br)OCC3=CC=CC=C3
COc1cc(C=NN=C2SC(C(=O)N2)CC(=O)O)cc(c1OCc1ccccc1)Br
InChI=1SC20H18BrN3O5Sc12815813(714(21)18(15)2911125324612)102224202319(27)16(3020)917(25)26h281016H911H21H3(H2526)(H232427)b2210+
MFCD03139285
ZINC000006603462
ZINC000012465451
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