Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-(6-fluoro-1,3-benzothiazol-2-yl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL055154
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
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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 C34H33FN2O6S MW 616.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33FN2O6S/c1-4-6-7-14-42-26-13-8-20(17-27(26)41-5-2)30-29(31(38)21-9-12-25-22(16-21)15-19(3)43-25)32(39)33(40)37(30)34-36-24-11-10-23(35)18-28(24)44-34/h8-13,16-19,30,38H,4-7,14-15H2,1-3H3/b31-29+InChIKey
USCHGNKNXKGUAN-OWWNRXNESA-NSynonyms
849922-01-6(4E)5(3ethoxy4(pentyloxy)phenyl)1(6fluoro13benzothiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)5(3ETHOXY4PENTOXYPHENYL)1(6FLUORO13BENZOTHIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
849922016
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(S5)C=C(C=C6)F)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)F
InChI=1SC34H33FN2O6Sc146714422613820(1727(26)4152)3029(31(38)219122522(1621)1519(3)4325)32(39)33(40)37(30)343624111023(35)1828(24)4434h81316193038H471415H213H3b3129+
MFCD05732284
ZINC000102890800
ZINC000102890807
Check stock
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Check stock on Vitas-MAvailable files
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