Vitas-M small molecule compound

4-[(2-chloro-4-{(E)-[3-(4-methoxybenzyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)methyl]benzoic acid

Catalog ID
STL364996
SMILES COc1ccc(cc1)CN1C(=S)S/C(=C/c2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)/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 C26H20ClNO5S2 MW 526.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20ClNO5S2/c1-32-20-9-4-16(5-10-20)14-28-24(29)23(35-26(28)34)13-18-6-11-22(21(27)12-18)33-15-17-2-7-19(8-3-17)25(30)31/h2-13H,14-15H2,1H3,(H,30,31)/b23-13+
InChIKey
IYBJSCVULQFUCE-YDZHTSKRSA-N
Synonyms

4((2chloro4((E)(3((4methoxyphenyl)methyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)methyl)benzoicacid
4((2chloro4((E)(3(4methoxybenzyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)methyl)benzoicacid
COC1=CC=C(C=C1)CN2C(=O)C(=CC3=CC(=C(C=C3)OCC4=CC=C(C=C4)C(=O)O)Cl)SC2=S
COc1ccc(cc1)CN1C(=S)SC(=Cc2ccc(c(c2)Cl)OCc2ccc(cc2)C(=O)O)C1=O
InChI=1SC26H20ClNO5S2c132209416(51020)142824(29)23(3526(28)34)131861122(21(27)1218)3315172719(8317)25(30)31h213H1415H21H3(H3031)b2313+
MFCD09156518
ZINC000101099629
ZINC101099629

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Available files

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