Vitas-M small molecule compound
2-[(5E)-5-(3-methoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]pentanedioic acid
Catalog ID
STL035768
SMILES COc1cccc(c1)/C=C\1/SC(=S)N(C1=O)C(C(=O)O)CCC(=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 C16H15NO6S2 MW 381.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H15NO6S2/c1-23-10-4-2-3-9(7-10)8-12-14(20)17(16(24)25-12)11(15(21)22)5-6-13(18)19/h2-4,7-8,11H,5-6H2,1H3,(H,18,19)(H,21,22)/b12-8+InChIKey
OCXACWMMXKXENR-XYOKQWHBSA-NSynonyms
2((5E)5((3methoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)pentanedioicacid
2((5E)5(3methoxybenzylidene)4oxo2thioxo13thiazolidin3yl)pentanedioicacid
COC1=CC=CC(=C1)C=C2C(=O)N(C(=S)S2)C(CCC(=O)O)C(=O)O
COc1cccc(c1)C=C1SC(=S)N(C1=O)C(C(=O)O)CCC(=O)O
InChI=1SC16H15NO6S2c123104239(710)81214(20)17(16(24)2512)11(15(21)22)5613(18)19h247811H56H21H3(H1819)(H2122)b128+
MFCD18192151
ZINC000032708006
ZINC000032708009
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