Vitas-M small molecule compound

4-{[(5Z)-5-[2-bromo-4-(2-ethoxy-2-oxoethoxy)-5-methoxybenzylidene]-4-oxo-2-(phenylimino)-1,3-thiazolidin-3-yl]methyl}benzoic acid

Catalog ID
STK153459
SMILES CCOC(=O)COc1cc(Br)c(cc1OC)/C=C/1\S/C(=N/c2ccccc2)/N(C1=O)Cc1ccc(cc1)C(=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 C29H25BrN2O7S MW 625.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H25BrN2O7S/c1-3-38-26(33)17-39-24-15-22(30)20(13-23(24)37-2)14-25-27(34)32(16-18-9-11-19(12-10-18)28(35)36)29(40-25)31-21-7-5-4-6-8-21/h4-15H,3,16-17H2,1-2H3,(H,35,36)/b25-14-,31-29?
InChIKey
LVIKAKLWBXRNCU-ALIWBALZSA-N
Synonyms

4(((5Z)5((2BROMO4(2ETHOXY2OXOETHOXY)5METHOXYPHENYL)METHYLIDENE)4OXO2PHENYLIMINO13THIAZOLIDIN3YL)METHYL)BENZOICACID
4(((5Z)5(2BROMO4(2ETHOXY2OXOETHOXY)5METHOXYBENZYLIDENE)4OXO2(PHENYLIMINO)13THIAZOLIDIN3YL)METHYL)BENZOICACID
4((5(2BROMO4(2ETHOXY2OXOETHOXY)5METHOXYBENZYLIDENE)4OXO2(PHENYLIMINO)13THIAZOLIDIN3YL)METHYL)BENZOICACID
CCOC(=O)COC1=C(C=C(C(=C1)Br)C=C2C(=O)N(C(=NC3=CC=CC=C3)S2)CC4=CC=C(C=C4)C(=O)O)OC
CCOC(=O)COc1cc(Br)c(cc1OC)C=C1SC(=Nc2ccccc2)N(C1=O)Cc1ccc(cc1)C(=O)O
InChI=1SC29H25BrN2O7Sc133826(33)1739241522(30)20(1323(24)372)142527(34)32(161891119(121018)28(35)36)29(4025)31217546821h415H31617H212H3(H3536)b25143129?
MFCD03068492
ZINC000008384012
ZINC150345600
ZINC35939915

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Available files

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