Vitas-M small molecule compound
(5E)-5-{2-[2-(3,4-dimethylphenoxy)ethoxy]-5-nitrobenzylidene}-3-methyl-2-thioxo-1,3-thiazolidin-4-one
Catalog ID
STK015010
SMILES S=C1S/C(=C/c2cc(ccc2OCCOc2ccc(c(c2)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 C21H20N2O5S2 MW 444.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N2O5S2/c1-13-4-6-17(10-14(13)2)27-8-9-28-18-7-5-16(23(25)26)11-15(18)12-19-20(24)22(3)21(29)30-19/h4-7,10-12H,8-9H2,1-3H3/b19-12+InChIKey
SCJOJUMLUYTXGG-XDHOZWIPSA-NSynonyms
(5E)5((2(2(34dimethylphenoxy)ethoxy)5nitrophenyl)methylidene)3methyl2sulfanylidene13thiazolidin4one
(5E)5(2(2(34DIMETHYLPHENOXY)ETHOXY)5NITROBENZYLIDENE)3METHYL2THIOXO13THIAZOLIDIN4ONE
CC1=C(C=C(C=C1)OCCOC2=C(C=C(C=C2)(N+)(=O)(O))C=C3C(=O)N(C(=S)S3)C)C
InChI=1SC21H20N2O5S2c1134617(1014(13)2)278928187516(23(25)26)1115(18)121920(24)22(3)21(29)3019h471012H89H213H3b1912+
MFCD02120952
S=C1SC(=Cc2cc(ccc2OCCOc2ccc(c(c2)C)C)(N+)(=O)(O))C(=O)N1C
STK015010
ZINC000013940099
ZINC13940099
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