Vitas-M small molecule compound
2-[(4-methylphenyl)amino]-2-oxoethyl 4-[(E)-{3-[(6-chloro-1,3-benzodioxol-5-yl)methyl]-2,4-dioxo-1,3-thiazolidin-5-ylidene}methyl]benzoate
Catalog ID
STL380679
SMILES O=C(Nc1ccc(cc1)C)COC(=O)c1ccc(cc1)/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 C28H21ClN2O7S MW 565.00 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O7S/c1-16-2-8-20(9-3-16)30-25(32)14-36-27(34)18-6-4-17(5-7-18)10-24-26(33)31(28(35)39-24)13-19-11-22-23(12-21(19)29)38-15-37-22/h2-12H,13-15H2,1H3,(H,30,32)/b24-10+InChIKey
FNMXQJRHJBEQMC-YSURURNPSA-NSynonyms
(2(4methylanilino)2oxoethyl)4((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)benzoate
2((4methylphenyl)amino)2oxoethyl4((E)(3((6chloro13benzodioxol5yl)methyl)24dioxo13thiazolidin5ylidene)methyl)benzoate
CC1=CC=C(C=C1)NC(=O)COC(=O)C2=CC=C(C=C2)C=C3C(=O)N(C(=O)S3)CC4=CC5=C(C=C4Cl)OCO5
InChI=1SC28H21ClN2O7Sc1162820(9316)3025(32)143627(34)186417(5718)102426(33)31(28(35)3924)1319112223(1221(19)29)38153722h212H1315H21H3(H3032)b2410+
MFCD03906060
O=C(Nc1ccc(cc1)C)COC(=O)c1ccc(cc1)C=C1SC(=O)N(C1=O)Cc1cc2OCOc2cc1Cl
ZINC000100360993
ZINC100360993
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