Vitas-M small molecule compound
(5Z)-3-benzyl-5-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STL380256
SMILES CCOc1cc(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 C25H19N3O7S2 MW 537.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H19N3O7S2/c1-2-34-22-12-17(13-23-24(29)26(25(36)37-23)15-16-6-4-3-5-7-16)8-10-21(22)35-20-11-9-18(27(30)31)14-19(20)28(32)33/h3-14H,2,15H2,1H3/b23-13-InChIKey
GRGMJEXDNCIJAH-QRVIBDJDSA-NSynonyms
(5Z)3benzyl5((4(24dinitrophenoxy)3ethoxyphenyl)methylidene)2sulfanylidene13thiazolidin4one
(5Z)3benzyl5(4(24dinitrophenoxy)3ethoxybenzylidene)2thioxo13thiazolidin4one
5((4(24DINITROPHENOXY)3ETHOXYPHENYL)METHYLENE)3BENZYL2THIOXO13THIAZOLIDIN4ONE
CCOC1=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)
CCOc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC25H19N3O7S2c1234221217(132324(29)26(25(36)3723)15166435716)81021(22)352011918(27(30)31)1419(20)28(32)33h314H215H21H3b2313
MFCD01590511
ZINC000100225421
ZINC100225421
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