Vitas-M small molecule compound
(5Z)-5-{2-[2-(4-tert-butylphenoxy)ethoxy]-5-nitrobenzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK069868
SMILES S=C1S/C(=C\c2cc(ccc2OCCOc2ccc(cc2)C(C)(C)C)[N+](=O)[O-])/C(=O)N1C
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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 C23H24N2O5S2 MW 472.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H24N2O5S2/c1-23(2,3)16-5-8-18(9-6-16)29-11-12-30-19-10-7-17(25(27)28)13-15(19)14-20-21(26)24(4)22(31)32-20/h5-10,13-14H,11-12H2,1-4H3/b20-14-InChIKey
JSYQZRUYXIPCPP-ZHZULCJRSA-NSynonyms
(5Z)5((2(2(4TERTBUTYLPHENOXY)ETHOXY)5NITROPHENYL)METHYLIDENE)3METHYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(5Z)5(2(2(4TERTBUTYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)3METHYL2THIOXO13THIAZOLIDIN4ONE
CC(C)(C)C1=CC=C(C=C1)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=S)S3)C
InChI=1SC23H24N2O5S2c123(23)165818(9616)291112301910717(25(27)28)1315(19)142021(26)24(4)22(31)3220h5101314H1112H214H3b2014
MFCD02121363
S=C1SC(=Cc2cc(ccc2OCCOc2ccc(cc2)C(C)(C)C)(N+)(=O)(O))C(=O)N1C
STK069868
ZINC000013898478
ZINC13898478
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