Vitas-M small molecule compound
N-(2,2,2-trichloro-1-{4-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]phenoxy}ethyl)furan-2-carboxamide
Catalog ID
STK822004
SMILES COc1cc(CCN2C(=S)S/C(=C\c3ccc(cc3)OC(C(Cl)(Cl)Cl)NC(=O)c3ccco3)/C2=O)ccc1OC
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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 C27H23Cl3N2O6S2 MW 641.98 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H23Cl3N2O6S2/c1-35-19-10-7-17(14-21(19)36-2)11-12-32-24(34)22(40-26(32)39)15-16-5-8-18(9-6-16)38-25(27(28,29)30)31-23(33)20-4-3-13-37-20/h3-10,13-15,25H,11-12H2,1-2H3,(H,31,33)/b22-15-InChIKey
QJDVRJWJIUZKAH-JCMHNJIXSA-NSynonyms
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=CC=C(C=C3)OC(C(Cl)(Cl)Cl)NC(=O)C4=CC=CO4)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3ccc(cc3)OC(C(Cl)(Cl)Cl)NC(=O)c3ccco3)C2=O)ccc1OC
InChI=1SC27H23Cl3N2O6S2c1351910717(1421(19)362)11123224(34)22(4026(32)39)15165818(9616)3825(27(2829)30)3123(33)2043133720h310131525H1112H212H3(H3133)b2215
MFCD03463178
N(222trichloro1(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2sulfanylidene13thiazolidin5ylidene)methyl)phenoxy)ethyl)furan2carboxamide
N(222trichloro1(4((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)phenoxy)ethyl)furan2carboxamide
ZINC000097947008
ZINC000097947009
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