Vitas-M small molecule compound

(5Z)-3-ethyl-5-{2-[2-(3-methoxyphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK004201
SMILES CCN1C(=S)S/C(=C\c2cc(ccc2OCCOc2cccc(c2)OC)[N+](=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 C21H20N2O6S2 MW 460.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O6S2/c1-3-22-20(24)19(31-21(22)30)12-14-11-15(23(25)26)7-8-18(14)29-10-9-28-17-6-4-5-16(13-17)27-2/h4-8,11-13H,3,9-10H2,1-2H3/b19-12-
InChIKey
WLJWVUZUFBJSMK-UNOMPAQXSA-N
Synonyms

(5Z)3ETHYL5((2(2(3METHOXYPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)3ETHYL5(2(2(3METHOXYPHENOXY)ETHOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCOC3=CC=CC(=C3)OC)SC1=S
CCN1C(=S)SC(=Cc2cc(ccc2OCCOc2cccc(c2)OC)(N+)(=O)(O))C1=O
InChI=1SC21H20N2O6S2c132220(24)19(3121(22)30)12141115(23(25)26)7818(14)29109281764516(1317)272h481113H3910H212H3b1912
MFCD02121185
STK004201
ZINC000008951945
ZINC08951945
ZINC8951945

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Available files

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