Vitas-M small molecule compound
ethyl (2,6-dichloro-4-{(Z)-[3-(2-nitrobenzyl)-2,4-dioxo-1,3-thiazolidin-5-ylidene]methyl}phenoxy)acetate
Catalog ID
STL357916
SMILES CCOC(=O)COc1c(Cl)cc(cc1Cl)/C=C/1\SC(=O)N(C1=O)Cc1ccccc1[N+](=O)[O-]
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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 C21H16Cl2N2O7S MW 511.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O7S/c1-2-31-18(26)11-32-19-14(22)7-12(8-15(19)23)9-17-20(27)24(21(28)33-17)10-13-5-3-4-6-16(13)25(29)30/h3-9H,2,10-11H2,1H3/b17-9-InChIKey
MVGCTRPELILUJN-MFOYZWKCSA-NSynonyms
CCOC(=O)COC1=C(C=C(C=C1Cl)C=C2C(=O)N(C(=O)S2)CC3=CC=CC=C3(N+)(=O)(O))Cl
CCOC(=O)COc1c(Cl)cc(cc1Cl)C=C1SC(=O)N(C1=O)Cc1ccccc1(N+)(=O)(O)
ethyl(26dichloro4((Z)(3(2nitrobenzyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
ethyl2(26dichloro4((Z)(3((2nitrophenyl)methyl)24dioxo13thiazolidin5ylidene)methyl)phenoxy)acetate
InChI=1SC21H16Cl2N2O7Sc123118(26)11321914(22)712(815(19)23)91720(27)24(21(28)3317)1013534616(13)25(29)30h39H21011H21H3b179
MFCD28033611
ZINC000033386533
ZINC33386533
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