Vitas-M small molecule compound
(5Z)-5-[4-(2,4-dinitrophenoxy)-3-methoxybenzylidene]-2-imino-1,3-thiazolidin-4-one
Catalog ID
STL406420
SMILES COc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C/1\SC(=N)NC1=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 C17H12N4O7S MW 416.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H12N4O7S/c1-27-14-6-9(7-15-16(22)19-17(18)29-15)2-4-13(14)28-12-5-3-10(20(23)24)8-11(12)21(25)26/h2-8H,1H3,(H2,18,19,22)/b15-7-InChIKey
DHQUWXZBFZOETI-CHHVJCJISA-NSynonyms
(5Z)2AMINO5((4(24DINITROPHENOXY)3METHOXYPHENYL)METHYLIDENE)13THIAZOL4ONE
(5Z)5(4(24dinitrophenoxy)3methoxybenzylidene)2imino13thiazolidin4one
COC1=C(C=CC(=C1)C=C2C(=O)N=C(S2)N)OC3=C(C=C(C=C3)(N+)(=O)(O))(N+)(=O)(O)
COc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=N)NC1=O
InChI=1SC17H12N4O7Sc1271469(71516(22)1917(18)2915)2413(14)28125310(20(23)24)811(12)21(25)26h28H1H3(H2181922)b157
MFCD30704482
ZINC000033393899
ZINC33393899
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