Vitas-M small molecule compound
methyl {2-bromo-4-[(E)-{2,4-dioxo-3-[2-oxo-2-(pyrrolidin-1-yl)ethyl]-1,3-thiazolidin-5-ylidene}methyl]-6-methoxyphenoxy}acetate
Catalog ID
STL370187
SMILES COC(=O)COc1c(Br)cc(cc1OC)/C=C\1/SC(=O)N(C1=O)CC(=O)N1CCCC1
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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 C20H21BrN2O7S MW 513.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21BrN2O7S/c1-28-14-8-12(7-13(21)18(14)30-11-17(25)29-2)9-15-19(26)23(20(27)31-15)10-16(24)22-5-3-4-6-22/h7-9H,3-6,10-11H2,1-2H3/b15-9+InChIKey
JJNMPIBWJNMOOR-OQLLNIDSSA-NSynonyms
COC(=O)COc1c(Br)cc(cc1OC)C=C1SC(=O)N(C1=O)CC(=O)N1CCCC1
COC1=C(C(=CC(=C1)C=C2C(=O)N(C(=O)S2)CC(=O)N3CCCC3)Br)OCC(=O)OC
InChI=1SC20H21BrN2O7Sc12814812(713(21)18(14)301117(25)292)91519(26)23(20(27)3115)1016(24)22534622h79H361011H212H3b159+
methyl(2bromo4((E)(24dioxo3(2oxo2(pyrrolidin1yl)ethyl)13thiazolidin5ylidene)methyl)6methoxyphenoxy)acetate
methyl2(2bromo4((E)(24dioxo3(2oxo2pyrrolidin1ylethyl)13thiazolidin5ylidene)methyl)6methoxyphenoxy)acetate
MFCD05150347
ZINC000009233926
ZINC09233926
ZINC9233926
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