Vitas-M small molecule compound
{(5E)-5-[4-(2,4-dinitrophenoxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid
Catalog ID
STL428134
SMILES OC(=O)CN1C(=S)S/C(=C/c2ccc(cc2)Oc2ccc(cc2[N+](=O)[O-])[N+](=O)[O-])/C1=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 C18H11N3O8S2 MW 461.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H11N3O8S2/c22-16(23)9-19-17(24)15(31-18(19)30)7-10-1-4-12(5-2-10)29-14-6-3-11(20(25)26)8-13(14)21(27)28/h1-8H,9H2,(H,22,23)/b15-7+InChIKey
PDLAEVKFEODDDQ-VIZOYTHASA-NSynonyms
((5E)5(4(24dinitrophenoxy)benzylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
2((5E)5((4(24dinitrophenoxy)phenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)aceticacid
C1=CC(=CC=C1C=C2C(=O)N(C(=S)S2)CC(=O)O)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H11N3O8S2c2216(23)91917(24)15(3118(19)30)7101412(5210)29146311(20(25)26)813(14)21(27)28h18H9H2(H2223)b157+
MFCD01536387
OC(=O)CN1C(=S)SC(=Cc2ccc(cc2)Oc2ccc(cc2(N+)(=O)(O))(N+)(=O)(O))C1=O
ZINC000009296642
ZINC9296642
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