Vitas-M small molecule compound
ethyl (5Z)-5-{4-[(3,4-dichlorobenzyl)oxy]-3-ethoxy-5-iodobenzylidene}-4-oxo-2-(phenylamino)-4,5-dihydrothiophene-3-carboxylate
Catalog ID
STL378285
SMILES CCOC(=O)C1=C(Nc2ccccc2)S/C(=C\c2cc(I)c(c(c2)OCC)OCc2ccc(c(c2)Cl)Cl)/C1=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 C29H24Cl2INO5S MW 696.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H24Cl2INO5S/c1-3-36-23-14-18(13-22(32)27(23)38-16-17-10-11-20(30)21(31)12-17)15-24-26(34)25(29(35)37-4-2)28(39-24)33-19-8-6-5-7-9-19/h5-15,33H,3-4,16H2,1-2H3/b24-15-InChIKey
WKDODEUEOZOPKX-IWIPYMOSSA-NSynonyms
CCOC(=O)C1=C(Nc2ccccc2)SC(=Cc2cc(I)c(c(c2)OCC)OCc2ccc(c(c2)Cl)Cl)C1=O
CCOC1=C(C(=CC(=C1)C=C2C(=O)C(=C(S2)NC3=CC=CC=C3)C(=O)OCC)I)OCC4=CC(=C(C=C4)Cl)Cl
ETHYL(5Z)2ANILINO5((4((34DICHLOROPHENYL)METHOXY)3ETHOXY5IODOPHENYL)METHYLIDENE)4OXOTHIOPHENE3CARBOXYLATE
ethyl(5Z)5(4((34dichlorobenzyl)oxy)3ethoxy5iodobenzylidene)4oxo2(phenylamino)45dihydrothiophene3carboxylate
InChI=1SC29H24Cl2INO5Sc1336231418(1322(32)27(23)381617101120(30)21(31)1217)152426(34)25(29(35)3742)28(3924)33198657919h51533H3416H212H3b2415
MFCD05039729
ZINC000150386110
ZINC150386110
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