Vitas-M small molecule compound

(5E)-3-ethyl-5-{4-methoxy-3-[(4-nitrophenoxy)methyl]benzylidene}-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STK449575
SMILES CCN1C(=S)S/C(=C/c2ccc(c(c2)COc2ccc(cc2)[N+](=O)[O-])OC)/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 C20H18N2O5S2 MW 430.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N2O5S2/c1-3-21-19(23)18(29-20(21)28)11-13-4-9-17(26-2)14(10-13)12-27-16-7-5-15(6-8-16)22(24)25/h4-11H,3,12H2,1-2H3/b18-11+
InChIKey
RGADJPKPXRAZEK-WOJGMQOQSA-N
Synonyms

(5E)3ETHYL5((4METHOXY3((4NITROPHENOXY)METHYL)PHENYL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(5E)3ethyl5(4methoxy3((4nitrophenoxy)methyl)benzylidene)2thioxo13thiazolidin4one
3ETHYL5((4METHOXY3((4NITROPHENOXY)METHYL)PHENYL)METHYLENE)2THIOXO13THIAZOLIDIN4ONE
3ETHYL5(3((4NITROPHENOXY)METHYL)4METHOXYBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CCN1C(=O)C(=CC2=CC(=C(C=C2)OC)COC3=CC=C(C=C3)(N+)(=O)(O))SC1=S
CCN1C(=S)SC(=Cc2ccc(c(c2)COc2ccc(cc2)(N+)(=O)(O))OC)C1=O
InChI=1SC20H18N2O5S2c132119(23)18(2920(21)28)11134917(262)14(1013)1227167515(6816)22(24)25h411H312H212H3b1811+
MFCD03467576
ZINC000008455532
ZINC08455532
ZINC8455532

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Available files

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