Vitas-M small molecule compound
N-{(5E)-5-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}benzamide
Catalog ID
STK250272
SMILES CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=S)N(C1=O)NC(=O)c1ccccc1
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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 C25H18N4O8S2 MW 566.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18N4O8S2/c1-2-36-21-12-15(8-10-20(21)37-19-11-9-17(28(32)33)14-18(19)29(34)35)13-22-24(31)27(25(38)39-22)26-23(30)16-6-4-3-5-7-16/h3-14H,2H2,1H3,(H,26,30)/b22-13+InChIKey
DGQCWMOHAGEOEB-LPYMAVHISA-NSynonyms
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=S)S2)NC(=O)C3=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)NC(=O)c1ccccc1
InChI=1SC25H18N4O8S2c1236211215(81020(21)371911917(28(32)33)1418(19)29(34)35)132224(31)27(25(38)3922)2623(30)166435716h314H2H21H3(H2630)b2213+
MFCD04084324
N((5E)5((4(24dinitrophenoxy)3ethoxyphenyl)methylidene)4oxo2sulfanylidene13thiazolidin3yl)benzamide
N((5E)5(4(24DINITROPHENOXY)3ETHOXYBENZYLIDENE)4OXO2THIOXO13THIAZOLIDIN3YL)BENZAMIDE
ZINC000100317491
ZINC100317491
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