Vitas-M small molecule compound
(5Z)-3-(3-chlorophenyl)-5-[(6-nitro-1,3-benzodioxol-5-yl)methylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL427814
SMILES Clc1cccc(c1)N1C(=S)S/C(=C\c2cc3OCOc3cc2[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 C17H9ClN2O5S2 MW 420.85 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H9ClN2O5S2/c18-10-2-1-3-11(6-10)19-16(21)15(27-17(19)26)5-9-4-13-14(25-8-24-13)7-12(9)20(22)23/h1-7H,8H2/b15-5-InChIKey
BIQJDPPUWHETRL-WCSRMQSCSA-NSynonyms
(5Z)3(3chlorophenyl)5((6nitro13benzodioxol5yl)methylidene)2sulfanylidene13thiazolidin4one
(5Z)3(3chlorophenyl)5((6nitro13benzodioxol5yl)methylidene)2thioxo13thiazolidin4one
C1OC2=C(O1)C=C(C(=C2)C=C3C(=O)N(C(=S)S3)C4=CC(=CC=C4)Cl)(N+)(=O)(O)
Clc1cccc(c1)N1C(=S)SC(=Cc2cc3OCOc3cc2(N+)(=O)(O))C1=O
InChI=1SC17H9ClN2O5S2c181021311(610)1916(21)15(2717(19)26)5941314(2582413)712(9)20(22)23h17H8H2b155
MFCD30710570
ZINC000033286157
ZINC33286157
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