Vitas-M small molecule compound

3-methyl-2-[(5Z)-5-(2-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STL035234
SMILES CC(C(N1C(=S)S/C(=C\c2ccccc2[N+](=O)[O-])/C1=O)C(=O)O)C

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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 C15H14N2O5S2 MW 366.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C15H14N2O5S2/c1-8(2)12(14(19)20)16-13(18)11(24-15(16)23)7-9-5-3-4-6-10(9)17(21)22/h3-8,12H,1-2H3,(H,19,20)/b11-7-
InChIKey
YMNOJXWETGGYMP-XFFZJAGNSA-N
Synonyms
392252-40-3
392252403
3METHYL2((5Z)5((2NITROPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
3methyl2((5Z)5(2nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
3METHYL2(5((2NITROPHENYL)METHYLENE)4OXO2THIOXO(13THIAZOLIDIN3YL))BUTANOICACID
CC(C(N1C(=S)SC(=Cc2ccccc2(N+)(=O)(O))C1=O)C(=O)O)C
CC(C)C(C(=O)O)N1C(=O)C(=CC2=CC=CC=C2(N+)(=O)(O))SC1=S
InChI=1SC15H14N2O5S2c18(2)12(14(19)20)1613(18)11(2415(16)23)79534610(9)17(21)22h3812H12H3(H1920)b117
MFCD01654776
ZINC000002381758
ZINC000004077102

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Available files

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