Vitas-M small molecule compound
(4E)-1-(4,6-dimethyl-1,3-benzothiazol-2-yl)-5-[3-ethoxy-4-(pentyloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL048003
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
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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 C36H38N2O6S MW 626.77 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H38N2O6S/c1-6-8-9-14-43-27-13-10-23(19-28(27)42-7-2)32-30(33(39)24-11-12-26-25(18-24)17-22(5)44-26)34(40)35(41)38(32)36-37-31-21(4)15-20(3)16-29(31)45-36/h10-13,15-16,18-19,22,32,39H,6-9,14,17H2,1-5H3/b33-30+InChIKey
GPHGQMFRBNRSMD-KKYHWDRJSA-NSynonyms
893698-04-9(4E)1(46dimethyl13benzothiazol2yl)5(3ethoxy4(pentyloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(46DIMETHYL13BENZOTHIAZOL2YL)5(3ETHOXY4PENTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893698049
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NC6=C(C=C(C=C6S5)C)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1nc2c(s1)cc(cc2C)C
InChI=1SC36H38N2O6Sc1689144327131023(1928(27)4272)3230(33(39)2411122625(1824)1722(5)4426)34(40)35(41)38(32)36373121(4)1520(3)1629(31)4536h101315161819223239H691417H215H3b3330+
MFCD05731348
ZINC000102883657
ZINC000102883661
Check stock
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Check stock on Vitas-MAvailable files
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