Vitas-M small molecule compound

5-(5-{(Z)-[3-(3-nitrophenyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}furan-2-yl)benzene-1,3-dicarboxylic acid

Catalog ID
STK111404
SMILES OC(=O)c1cc(cc(c1)C(=O)O)c1ccc(o1)/C=C/1\SC(=S)N(C1=O)c1cccc(c1)[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 C22H12N2O8S2 MW 496.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H12N2O8S2/c25-19-18(34-22(33)23(19)14-2-1-3-15(9-14)24(30)31)10-16-4-5-17(32-16)11-6-12(20(26)27)8-13(7-11)21(28)29/h1-10H,(H,26,27)(H,28,29)/b18-10-
InChIKey
KUQNNBQXOVKGGI-ZDLGFXPLSA-N
Synonyms

5(5((Z)(3(3NITROPHENYL)4OXO2SULFANYLIDENE13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
5(5((Z)(3(3NITROPHENYL)4OXO2THIOXO13THIAZOLIDIN5YLIDENE)METHYL)FURAN2YL)BENZENE13DICARBOXYLICACID
C1=CC(=CC(=C1)(N+)(=O)(O))N2C(=O)C(=CC3=CC=C(O3)C4=CC(=CC(=C4)C(=O)O)C(=O)O)SC2=S
InChI=1SC22H12N2O8S2c251918(3422(33)23(19)1421315(914)24(30)31)10164517(3216)11612(20(26)27)813(711)21(28)29h110H(H2627)(H2829)b1810
MFCD07546282
OC(=O)c1cc(cc(c1)C(=O)O)c1ccc(o1)C=C1SC(=S)N(C1=O)c1cccc(c1)(N+)(=O)(O)
ZINC000012468613
ZINC12468613

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Available files

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