Vitas-M small molecule compound

(5Z)-5-{2-[3-(4-chlorophenoxy)propoxy]-5-nitrobenzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK084410
SMILES Clc1ccc(cc1)OCCCOc1ccc(cc1/C=C/1\SC(=S)N(C1=O)C)[N+](=O)[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 C20H17ClN2O5S2 MW 464.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17ClN2O5S2/c1-22-19(24)18(30-20(22)29)12-13-11-15(23(25)26)5-8-17(13)28-10-2-9-27-16-6-3-14(21)4-7-16/h3-8,11-12H,2,9-10H2,1H3/b18-12-
InChIKey
ZEWILKWLEOTJHV-PDGQHHTCSA-N
Synonyms

(5Z)5((2(3(4CHLOROPHENOXY)PROPOXY)5NITROPHENYL)METHYLIDENE)3METHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(3(4CHLOROPHENOXY)PROPOXY)5NITROBENZYLIDENE)3METHYL2THIOXO13THIAZOLIDIN4ONE
Clc1ccc(cc1)OCCCOc1ccc(cc1C=C1SC(=S)N(C1=O)C)(N+)(=O)(O)
CN1C(=O)C(=CC2=C(C=CC(=C2)(N+)(=O)(O))OCCCOC3=CC=C(C=C3)Cl)SC1=S
InChI=1SC20H17ClN2O5S2c12219(24)18(3020(22)29)12131115(23(25)26)5817(13)28102927166314(21)4716h381112H2910H21H3b1812
MFCD03184167
STK084410
ZINC000002843828
ZINC02843828
ZINC2843828

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Available files

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