Vitas-M small molecule compound
(4E)-5-(3-bromo-4-hydroxy-5-methoxyphenyl)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK568510
SMILES CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)/C(=C(\c2ccc3c(c2)CC(O3)C)/O)/C1c1cc(Br)c(c(c1)OC)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 C30H25BrN2O7S MW 637.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H25BrN2O7S/c1-4-39-18-6-7-20-23(13-18)41-30(32-20)33-25(17-11-19(31)27(35)22(12-17)38-3)24(28(36)29(33)37)26(34)15-5-8-21-16(10-15)9-14(2)40-21/h5-8,10-14,25,34-35H,4,9H2,1-3H3/b26-24+InChIKey
PFKKDRXKPJAABF-SHHOIMCASA-NSynonyms
893698-67-4(4E)5(3bromo4hydroxy5methoxyphenyl)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
893698674
CCOC1=CC2=C(C=C1)N=C(S2)N3C(C(=C(C4=CC5=C(C=C4)OC(C5)C)O)C(=O)C3=O)C6=CC(=C(C(=C6)Br)O)OC
CCOc1ccc2c(c1)sc(n2)N1C(=O)C(=O)C(=C(c2ccc3c(c2)CC(O3)C)O)C1c1cc(Br)c(c(c1)OC)O
InChI=1SC30H25BrN2O7Sc143918672023(1318)4130(3220)3325(171119(31)27(35)22(1217)383)24(28(36)29(33)37)26(34)15582116(1015)914(2)4021h581014253435H49H213H3b2624+
MFCD05734657
ZINC000150453773
ZINC000150453784
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