Vitas-M small molecule compound

(5E)-3-[(2,4-dinitrophenyl)amino]-5-(4-hydroxy-3-methoxybenzylidene)-2-thioxo-1,3-thiazolidin-4-one

Catalog ID
STL035572
SMILES COc1cc(ccc1O)/C=C\1/SC(=S)N(C1=O)Nc1ccc(cc1[N+](=O)[O-])[N+](=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 C17H12N4O7S2 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O7S2/c1-28-14-6-9(2-5-13(14)22)7-15-16(23)19(17(29)30-15)18-11-4-3-10(20(24)25)8-12(11)21(26)27/h2-8,18,22H,1H3/b15-7+
InChIKey
QEEMUMJJGVILFS-VIZOYTHASA-N
Synonyms
881815-67-4
(5E)3((24dinitrophenyl)amino)5(4hydroxy3methoxybenzylidene)2thioxo13thiazolidin4one
(5E)3(24dinitroanilino)5((4hydroxy3methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
3((24DINITROPHENYL)AMINO)5((4HYDROXY3METHOXYPHENYL)METHYLENE)2THIOXO13THIAZOLIDIN4ONE
881815674
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)NC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O))O
COc1cc(ccc1O)C=C1SC(=S)N(C1=O)Nc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC17H12N4O7S2c1281469(2513(14)22)71516(23)19(17(29)3015)18114310(20(24)25)812(11)21(26)27h281822H1H3b157+
MFCD07197022
ZINC000008870245
ZINC08870245
ZINC8870245

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Available files

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