Vitas-M small molecule compound
(5E)-5-[4-(2,4-dinitrophenoxy)-3-ethoxybenzylidene]-3-(naphthalen-2-ylmethyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL380383
SMILES CCOc1cc(ccc1Oc1ccc(cc1[N+](=O)[O-])[N+](=O)[O-])/C=C\1/SC(=O)N(C1=O)Cc1ccc2c(c1)cccc2
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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 C29H21N3O8S MW 571.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21N3O8S/c1-2-39-26-14-18(8-11-25(26)40-24-12-10-22(31(35)36)16-23(24)32(37)38)15-27-28(33)30(29(34)41-27)17-19-7-9-20-5-3-4-6-21(20)13-19/h3-16H,2,17H2,1H3/b27-15+InChIKey
OLKCBJZIOTWTNH-JFLMPSFJSA-NSynonyms
(5E)5((4(24dinitrophenoxy)3ethoxyphenyl)methylidene)3(naphthalen2ylmethyl)13thiazolidine24dione
(5E)5(4(24dinitrophenoxy)3ethoxybenzylidene)3(naphthalen2ylmethyl)13thiazolidine24dione
CCOC1=C(C=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC4=CC=CC=C4C=C3)OC5=C(C=C(C=C5)(N+)(=O)(O))(N+)(=O)(O)
CCOc1cc(ccc1Oc1ccc(cc1(N+)(=O)(O))(N+)(=O)(O))C=C1SC(=O)N(C1=O)Cc1ccc2c(c1)cccc2
InChI=1SC29H21N3O8Sc1239261418(81125(26)4024121022(31(35)36)1623(24)32(37)38)152728(33)30(29(34)4127)17197920534621(20)1319h316H217H21H3b2715+
MFCD04086607
ZINC000100360745
ZINC100360745
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