Vitas-M small molecule compound

2-[(5E)-5-{[5-(4-methoxy-2-nitrophenyl)furan-2-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STL022741
SMILES CCC(N1C(=S)S/C(=C/c2ccc(o2)c2ccc(cc2[N+](=O)[O-])OC)/C1=O)C(=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 C19H16N2O7S2 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H16N2O7S2/c1-3-13(18(23)24)20-17(22)16(30-19(20)29)9-11-5-7-15(28-11)12-6-4-10(27-2)8-14(12)21(25)26/h4-9,13H,3H2,1-2H3,(H,23,24)/b16-9+
InChIKey
XMRFZDBGZDXGBX-CXUHLZMHSA-N
Synonyms
875286-69-4
2((5E)5((5(4methoxy2nitrophenyl)furan2yl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)butanoicacid
2((5E)5((5(4methoxy2nitrophenyl)furan2yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
2(5((5(4METHOXY2NITROPHENYL)(2FURYL))METHYLENE)4OXO2THIOXO13THIAZOLIDIN3YL)BUTANOICACID
875286694
CCC(C(=O)O)N1C(=O)C(=CC2=CC=C(O2)C3=C(C=C(C=C3)OC)(N+)(=O)(O))SC1=S
CCC(N1C(=S)SC(=Cc2ccc(o2)c2ccc(cc2(N+)(=O)(O))OC)C1=O)C(=O)O
InChI=1SC19H16N2O7S2c1313(18(23)24)2017(22)16(3019(20)29)9115715(2811)126410(272)814(12)21(25)26h4913H3H212H3(H2324)b169+
MFCD07802253
ZINC000008818986
ZINC000008818987

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Available files

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