Vitas-M small molecule compound
[(5E)-5-(3-ethoxy-4-{[(3-nitrophenyl)carbonyl]oxy}benzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STK041868
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)CC(=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 C21H16N2O8S2 MW 488.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16N2O8S2/c1-2-30-16-8-12(9-17-19(26)22(11-18(24)25)21(32)33-17)6-7-15(16)31-20(27)13-4-3-5-14(10-13)23(28)29/h3-10H,2,11H2,1H3,(H,24,25)/b17-9+InChIKey
KBGZYKXDXKOLSY-RQZCQDPDSA-NSynonyms
((5E)5(3ETHOXY4(((3NITROPHENYL)CARBONYL)OXY)BENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)ACETICACID
2((5E)5((3ETHOXY4(3NITROBENZOYL)OXYPHENYL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC21H16N2O8S2c123016812(91719(26)22(1118(24)25)21(32)3317)6715(16)3120(27)1343514(1013)23(28)29h310H211H21H3(H2425)b179+
MFCD01026945
STK041868
ZINC000002904525
ZINC2904525
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