Vitas-M small molecule compound

4-[(4-{(E)-[2-(acetylamino)-4-oxo-1,3-thiazol-5(4H)-ylidene]methyl}-2,6-dichlorophenoxy)methyl]benzoic acid

Catalog ID
STK112412
SMILES CC(=O)NC1=NC(=O)/C(=C\c2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C(=O)O)/S1

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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 C20H14Cl2N2O5S MW 465.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H14Cl2N2O5S/c1-10(25)23-20-24-18(26)16(30-20)8-12-6-14(21)17(15(22)7-12)29-9-11-2-4-13(5-3-11)19(27)28/h2-8H,9H2,1H3,(H,27,28)(H,23,24,25,26)/b16-8+
InChIKey
XWICAQACJOHWTB-LZYBPNLTSA-N
Synonyms

4((4((E)(2(ACETYLAMINO)4OXO13THIAZOL5(4H)YLIDENE)METHYL)26DICHLOROPHENOXY)METHYL)BENZOICACID
4((4((E)(2ACETAMIDO4OXO13THIAZOL5YLIDENE)METHYL)26DICHLOROPHENOXY)METHYL)BENZOICACID
CC(=O)NC1=NC(=O)C(=CC2=CC(=C(C(=C2)Cl)OCC3=CC=C(C=C3)C(=O)O)Cl)S1
CC(=O)NC1=NC(=O)C(=Cc2cc(Cl)c(c(c2)Cl)OCc2ccc(cc2)C(=O)O)S1
InChI=1SC20H14Cl2N2O5Sc110(25)23202418(26)16(3020)812614(21)17(15(22)712)299112413(5311)19(27)28h28H9H21H3(H2728)(H23242526)b168+
MFCD04127540
ZINC000009763457
ZINC9763457

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Available files

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