Vitas-M small molecule compound
methyl 2-{2-[4-(dimethylamino)phenyl]-4-hydroxy-3-[(7-methoxy-1-benzofuran-2-yl)carbonyl]-5-oxo-2,5-dihydro-1H-pyrrol-1-yl}-4-methyl-1,3-thiazole-5-carboxylate
Catalog ID
STK515389
SMILES COC(=O)c1sc(nc1C)N1C(=O)C(=C(C1c1ccc(cc1)N(C)C)C(=O)c1oc2c(c1)cccc2OC)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 C28H25N3O7S MW 547.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H25N3O7S/c1-14-25(27(35)37-5)39-28(29-14)31-21(15-9-11-17(12-10-15)30(2)3)20(23(33)26(31)34)22(32)19-13-16-7-6-8-18(36-4)24(16)38-19/h6-13,21,33H,1-5H3InChIKey
XEHPIUKQZARTCK-UHFFFAOYSA-NSynonyms
CC1=C(SC(=N1)N2C(C(=C(C2=O)O)C(=O)C3=CC4=C(O3)C(=CC=C4)OC)C5=CC=C(C=C5)N(C)C)C(=O)OC
InChI=1SC28H25N3O7Sc11425(27(35)375)3928(2914)3121(1591117(121015)30(2)3)20(23(33)26(31)34)22(32)19131676818(364)24(16)3819h6132133H15H3
methyl2(2(4(dimethylamino)phenyl)4hydroxy3((7methoxy1benzofuran2yl)carbonyl)5oxo25dihydro1Hpyrrol1yl)4methyl13thiazole5carboxylate
methyl2(2(4(dimethylamino)phenyl)4hydroxy3(7methoxy1benzofuran2carbonyl)5oxo2Hpyrrol1yl)4methyl13thiazole5carboxylate
MFCD06645233
ZINC000098047921
ZINC000098047922
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