Vitas-M small molecule compound

methyl [(5E)-5-{4-[(2,4-dichlorobenzyl)oxy]-3-methoxybenzylidene}-2,4-dioxo-1,3-thiazolidin-3-yl]acetate

Catalog ID
STK152255
SMILES COC(=O)CN1C(=O)S/C(=C/c2ccc(c(c2)OC)OCc2ccc(cc2Cl)Cl)/C1=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 C21H17Cl2NO6S MW 482.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H17Cl2NO6S/c1-28-17-7-12(8-18-20(26)24(21(27)31-18)10-19(25)29-2)3-6-16(17)30-11-13-4-5-14(22)9-15(13)23/h3-9H,10-11H2,1-2H3/b18-8+
InChIKey
UJDGSCRSUWKLSO-QGMBQPNBSA-N
Synonyms

COC(=O)CN1C(=O)SC(=Cc2ccc(c(c2)OC)OCc2ccc(cc2Cl)Cl)C1=O
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)OC)OCC3=C(C=C(C=C3)Cl)Cl
InChI=1SC21H17Cl2NO6Sc12817712(81820(26)24(21(27)3118)1019(25)292)3616(17)3011134514(22)915(13)23h39H1011H212H3b188+
METHYL((5E)5(4((24DICHLOROBENZYL)OXY)3METHOXYBENZYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
METHYL2((5E)5((4((24DICHLOROPHENYL)METHOXY)3METHOXYPHENYL)METHYLIDENE)24DIOXO13THIAZOLIDIN3YL)ACETATE
MFCD03992958
ZINC000001152897
ZINC01152897
ZINC1152897

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.