Vitas-M small molecule compound
ethyl 4-{5-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]furan-2-yl}benzoate
Catalog ID
STL378895
SMILES CCOC(=O)c1ccc(cc1)c1ccc(o1)/C=C\1/SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
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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 C25H18ClNO7S MW 511.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H18ClNO7S/c1-2-31-24(29)15-5-3-14(4-6-15)19-8-7-17(34-19)10-22-23(28)27(25(30)35-22)12-16-9-20-21(11-18(16)26)33-13-32-20/h3-11H,2,12-13H2,1H3/b22-10+InChIKey
FCXPAZGRLXNHMV-LSHDLFTRSA-NSynonyms
CCOC(=O)C1=CC=C(C=C1)C2=CC=C(O2)C=C3C(=O)N(C(=O)S3)CC4=CC5=C(C=C4Cl)OCO5
CCOC(=O)c1ccc(cc1)c1ccc(o1)C=C1SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
ethyl4(5((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)furan2yl)benzoate
InChI=1SC25H18ClNO7Sc123124(29)155314(4615)198717(3419)102223(28)27(25(30)3522)121692021(1118(16)26)33133220h311H21213H21H3b2210+
MFCD03614476
ZINC000003764371
ZINC03764371
ZINC3764371
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