Vitas-M small molecule compound
(4E)-1-(6-chloro-1,3-benzothiazol-2-yl)-5-(3-ethoxy-4-hydroxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL051571
SMILES CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C29H23ClN2O6S MW 563.03 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O6S/c1-3-37-22-12-15(4-8-20(22)33)25-24(26(34)16-5-9-21-17(11-16)10-14(2)38-21)27(35)28(36)32(25)29-31-19-7-6-18(30)13-23(19)39-29/h4-9,11-14,25,33-34H,3,10H2,1-2H3/b26-24+InChIKey
MHUWGQHKFKZRAO-SHHOIMCASA-NSynonyms
862198-48-9(4E)1(6chloro13benzothiazol2yl)5(3ethoxy4hydroxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
862198489
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)Cl)O
CCOc1cc(ccc1O)C1N(c2nc3c(s2)cc(cc3)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC29H23ClN2O6Sc1337221215(4820(22)33)2524(26(34)16592117(1116)1014(2)3821)27(35)28(36)32(25)2931197618(30)1323(19)3929h491114253334H310H212H3b2624+
MFCD05733728
ZINC000102889271
ZINC000102889277
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