Vitas-M small molecule compound

methyl (2E)-{(2Z)-3-(1,3-benzodioxol-5-ylmethyl)-2-[(3-chloro-4-fluorophenyl)imino]-4-oxo-1,3-thiazolidin-5-ylidene}ethanoate

Catalog ID
STK134967
SMILES COC(=O)/C=C\1/S/C(=N\c2ccc(c(c2)Cl)F)/N(C1=O)Cc1ccc2c(c1)OCO2

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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 C20H14ClFN2O5S MW 448.86 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14ClFN2O5S/c1-27-18(25)8-17-19(26)24(9-11-2-5-15-16(6-11)29-10-28-15)20(30-17)23-12-3-4-14(22)13(21)7-12/h2-8H,9-10H2,1H3/b17-8+,23-20-
InChIKey
WXFJGIHBEGICKU-MIQHSQIUSA-N
Synonyms

COC(=O)C=C1SC(=Nc2ccc(c(c2)Cl)F)N(C1=O)Cc1ccc2c(c1)OCO2
methyl(2E)((2Z)3(13benzodioxol5ylmethyl)2((3chloro4fluorophenyl)imino)4oxo13thiazolidin5ylidene)ethanoate
MFCD06652175
ZINC000009850877

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Available files

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