Vitas-M small molecule compound
(5Z)-5-{3-ethoxy-5-iodo-4-[(4-nitrobenzyl)oxy]benzylidene}-3-(2-nitrobenzyl)-1,3-thiazolidine-2,4-dione
Catalog ID
STL378975
SMILES CCOc1cc(/C=C/2\SC(=O)N(C2=O)Cc2ccccc2[N+](=O)[O-])cc(c1OCc1ccc(cc1)[N+](=O)[O-])I
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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 C26H20IN3O8S MW 661.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H20IN3O8S/c1-2-37-22-12-17(11-20(27)24(22)38-15-16-7-9-19(10-8-16)29(33)34)13-23-25(31)28(26(32)39-23)14-18-5-3-4-6-21(18)30(35)36/h3-13H,2,14-15H2,1H3/b23-13-InChIKey
REXTYFYABSPSGJ-QRVIBDJDSA-NSynonyms
(5Z)5((3ethoxy5iodo4((4nitrophenyl)methoxy)phenyl)methylidene)3((2nitrophenyl)methyl)13thiazolidine24dione
(5Z)5(3ethoxy5iodo4((4nitrobenzyl)oxy)benzylidene)3(2nitrobenzyl)13thiazolidine24dione
CCOC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3(N+)(=O)(O))I)OCC4=CC=C(C=C4)(N+)(=O)(O)
CCOc1cc(C=C2SC(=O)N(C2=O)Cc2ccccc2(N+)(=O)(O))cc(c1OCc1ccc(cc1)(N+)(=O)(O))I
InChI=1SC26H20IN3O8Sc1237221217(1120(27)24(22)3815167919(10816)29(33)34)132325(31)28(26(32)3923)1418534621(18)30(35)36h313H21415H21H3b2313
MFCD28951004
ZINC000150626356
ZINC150626356
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