Vitas-M small molecule compound
ethyl 2-{(3E)-3-[hydroxy(4-propoxyphenyl)methylidene]-4,5-dioxo-2-phenylpyrrolidin-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STL043646
SMILES CCCOc1ccc(cc1)/C(=C\1/C(c2ccccc2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)/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 C27H26N2O6S MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N2O6S/c1-4-15-35-19-13-11-18(12-14-19)22(30)20-21(17-9-7-6-8-10-17)29(25(32)23(20)31)27-28-16(3)24(36-27)26(33)34-5-2/h6-14,21,30H,4-5,15H2,1-3H3/b22-20+InChIKey
IOBKHKVNVHBHKK-LSDHQDQOSA-NSynonyms
614747-98-7614747987
CCCOC1=CC=C(C=C1)C(=C2C(N(C(=O)C2=O)C3=NC(=C(S3)C(=O)OCC)C)C4=CC=CC=C4)O
CCCOc1ccc(cc1)C(=C1C(c2ccccc2)N(C(=O)C1=O)c1sc(c(n1)C)C(=O)OCC)O
ethyl2((3E)3(hydroxy(4propoxyphenyl)methylidene)45dioxo2phenylpyrrolidin1yl)4methyl13thiazole5carboxylate
ETHYL2((4E)4(HYDROXY(4PROPOXYPHENYL)METHYLIDENE)23DIOXO5PHENYLPYRROLIDIN1YL)4METHYL13THIAZOLE5CARBOXYLATE
ETHYL2(3HYDROXY2OXO5PHENYL4((4PROPOXYPHENYL)CARBONYL)(3PYRROLINYL))4METHYL13THIAZOLE5CARBOXYLATE
InChI=1SC27H26N2O6Sc14153519131118(121419)22(30)2021(1797681017)29(25(32)23(20)31)272816(3)24(3627)26(33)3452h6142130H4515H213H3b2220+
MFCD03796100
ZINC000102873502
ZINC000102873506
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Check stock on Vitas-MAvailable files
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