Vitas-M small molecule compound
(4E)-1-(6-ethoxy-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-nitrophenyl)pyrrolidine-2,3-dione
Catalog ID
STL042644
SMILES CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)[N+](=O)[O-])/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)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 C29H23N3O7S MW 557.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23N3O7S/c1-3-38-20-8-9-21-23(14-20)40-29(30-21)31-25(16-5-4-6-19(13-16)32(36)37)24(27(34)28(31)35)26(33)17-7-10-22-18(12-17)11-15(2)39-22/h4-10,12-15,25,33H,3,11H2,1-2H3/b26-24+InChIKey
UXLVVDZMFOWANP-SHHOIMCASA-NSynonyms
893697-44-4(4E)1(6ethoxy13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3nitrophenyl)pyrrolidine23dione
893697444
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(=CC=C6)(N+)(=O)(O)
CCOc1ccc2c(c1)sc(n2)N1C(c2cccc(c2)(N+)(=O)(O))C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C1=O
InChI=1SC29H23N3O7Sc133820892123(1420)4029(3021)3125(1654619(1316)32(36)37)24(27(34)28(31)35)26(33)177102218(1217)1115(2)3922h41012152533H311H212H3b2624+
MFCD05729034
ZINC000102736976
ZINC000102736985
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