Vitas-M small molecule compound
[(5E)-5-(4-{[2-(acetyloxy)ethyl]sulfanyl}-3-nitrobenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid
Catalog ID
STL428769
SMILES CC(=O)OCCSc1ccc(cc1[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 C16H14N2O7S3 MW 442.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H14N2O7S3/c1-9(19)25-4-5-27-12-3-2-10(6-11(12)18(23)24)7-13-15(22)17(8-14(20)21)16(26)28-13/h2-3,6-7H,4-5,8H2,1H3,(H,20,21)/b13-7+InChIKey
NOCGQFJDYVZWTL-NTUHNPAUSA-NSynonyms
((5E)5(4((2(acetyloxy)ethyl)sulfanyl)3nitrobenzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(2acetyloxyethylsulfanyl)3nitrophenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
CC(=O)OCCSC1=C(C=C(C=C1)C=C2C(=O)N(C(=S)S2)CC(=O)O)(N+)(=O)(O)
CC(=O)OCCSc1ccc(cc1(N+)(=O)(O))C=C1SC(=S)N(C1=O)CC(=O)O
InChI=1SC16H14N2O7S3c19(19)254527123210(611(12)18(23)24)71315(22)17(814(20)21)16(26)2813h2367H458H21H3(H2021)b137+
MFCD05625106
ZINC000009310662
ZINC9310662
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