Vitas-M small molecule compound

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

Catalog ID
STK006765
SMILES CCOc1cc(/C=C\2/SC(=S)NC2=O)cc(c1OCCCOc1ccc(cc1)Cl)[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 C21H19ClN2O6S2 MW 494.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H19ClN2O6S2/c1-2-28-17-11-13(12-18-20(25)23-21(31)32-18)10-16(24(26)27)19(17)30-9-3-8-29-15-6-4-14(22)5-7-15/h4-7,10-12H,2-3,8-9H2,1H3,(H,23,25,31)/b18-12+
InChIKey
IMNBSEVXEATPTG-LDADJPATSA-N
Synonyms

(5E)5((4(3(4CHLOROPHENOXY)PROPOXY)3ETHOXY5NITROPHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)5(4(3(4CHLOROPHENOXY)PROPOXY)3ETHOXY5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCOC1=CC(=CC(=C1OCCCOC2=CC=C(C=C2)Cl)(N+)(=O)(O))C=C3C(=O)NC(=S)S3
CCOc1cc(C=C2SC(=S)NC2=O)cc(c1OCCCOc1ccc(cc1)Cl)(N+)(=O)(O)
InChI=1SC21H19ClN2O6S2c1228171113(121820(25)2321(31)3218)1016(24(26)27)19(17)3093829156414(22)5715h471012H2389H21H3(H232531)b1812+
MFCD02923094
STK006765
ZINC000012285325
ZINC12285325

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Available files

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