Vitas-M small molecule compound
(5E)-3-benzyl-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL428032
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C24H17N3O7S2 MW 523.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H17N3O7S2/c1-33-21-11-16(12-22-23(28)25(24(35)36-22)14-15-5-3-2-4-6-15)7-9-20(21)34-19-10-8-17(26(29)30)13-18(19)27(31)32/h2-13H,14H2,1H3/b22-12+InChIKey
DZAYIGYAEZKYIF-WSDLNYQXSA-NSynonyms
(5E)3benzyl5((4(24dinitrophenoxy)3methoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3benzyl5(4(24dinitrophenoxy)3methoxybenzylidene)2thioxo13thiazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)CC3=CC=CC=C3)OC4=C(C=C(C=C4)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC24H17N3O7S2c133211116(122223(28)25(24(35)3622)14155324615)7920(21)341910817(26(29)30)1318(19)27(31)32h213H14H21H3b2212+
MFCD02108930
ZINC000100310175
ZINC100310175
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