Vitas-M small molecule compound
(5E)-3-benzyl-5-{2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrobenzylidene}-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK043247
SMILES S=C1S/C(=C/c2cc(ccc2OCCOc2ccc(c(c2)C)C)[N+](=O)[O-])/C(=O)N1Cc1ccccc1
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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 C27H24N2O5S2 MW 520.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H24N2O5S2/c1-18-8-10-23(14-19(18)2)33-12-13-34-24-11-9-22(29(31)32)15-21(24)16-25-26(30)28(27(35)36-25)17-20-6-4-3-5-7-20/h3-11,14-16H,12-13,17H2,1-2H3/b25-16+InChIKey
RIRIRYOEWAUSNP-PCLIKHOPSA-NSynonyms
(5E)3benzyl5((2(2(34dimethylphenoxy)ethoxy)5nitrophenyl)methylidene)2sulfanylidene13thiazolidin4one
(5E)3BENZYL5(2(2(34DIMETHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)2THIOXO13THIAZOLIDIN4ONE
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)C
InChI=1SC27H24N2O5S2c11881023(1419(18)2)331213342411922(29(31)32)1521(24)162526(30)28(27(35)3625)17206435720h3111416H121317H212H3b2516+
MFCD02122121
S=C1SC(=Cc2cc(ccc2OCCOc2ccc(c(c2)C)C)(N+)(=O)(O))C(=O)N1Cc1ccccc1
STK043247
ZINC000013942690
ZINC13942690
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