Vitas-M small molecule compound

(5E)-5-{3-chloro-4-[(4-chlorobenzyl)oxy]-5-ethoxybenzylidene}-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK056065
SMILES C=CCN1C(=S)S/C(=C/c2cc(Cl)c(c(c2)OCC)OCc2ccc(cc2)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 C22H19Cl2NO3S2 MW 480.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H19Cl2NO3S2/c1-3-9-25-21(26)19(30-22(25)29)12-15-10-17(24)20(18(11-15)27-4-2)28-13-14-5-7-16(23)8-6-14/h3,5-8,10-12H,1,4,9,13H2,2H3/b19-12+
InChIKey
RKXMAFICAVRQCW-XDHOZWIPSA-N
Synonyms

(5E)5((3CHLORO4((4CHLOROPHENYL)METHOXY)5ETHOXYPHENYL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(3CHLORO4((4CHLOROBENZYL)OXY)5ETHOXYBENZYLIDENE)3(PROP2EN1YL)2THIOXO13THIAZOLIDIN4ONE
C=CCN1C(=S)SC(=Cc2cc(Cl)c(c(c2)OCC)OCc2ccc(cc2)Cl)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=S)S2)CC=C)Cl)OCC3=CC=C(C=C3)Cl
InChI=1SC22H19Cl2NO3S2c1392521(26)19(3022(25)29)12151017(24)20(18(1115)2742)2813145716(23)8614h3581012H14913H22H3b1912+
MFCD02922769
STK056065
ZINC000002843854
ZINC02843854
ZINC2843854

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Available files

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