Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-(6-methyl-1,3-benzothiazol-2-yl)pyrrolidine-2,3-dione
Catalog ID
STK568519
SMILES C=CCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)CC(O3)C)\O)/C(=O)C(=O)N1c1sc2c(n1)ccc(c2)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 C33H30N2O6S MW 582.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30N2O6S/c1-5-13-40-25-12-8-20(17-26(25)39-6-2)29-28(30(36)21-9-11-24-22(16-21)15-19(4)41-24)31(37)32(38)35(29)33-34-23-10-7-18(3)14-27(23)42-33/h5,7-12,14,16-17,19,29,36H,1,6,13,15H2,2-4H3/b30-28+InChIKey
JJASZBMSRDAAFW-SJCQXOIGSA-NSynonyms
893700-16-8(4E)5(3ethoxy4(prop2en1yloxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(6methyl13benzothiazol2yl)pyrrolidine23dione
(4E)5(3ETHOXY4PROP2ENOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(6METHYL13BENZOTHIAZOL2YL)PYRROLIDINE23DIONE
893700168
C=CCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)CC(O3)C)O)C(=O)C(=O)N1c1sc2c(n1)ccc(c2)C
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)C)OCC=C
InChI=1SC33H30N2O6Sc1513402512820(1726(25)3962)2928(30(36)219112422(1621)1519(4)4124)31(37)32(38)35(29)33342310718(3)1427(23)4233h5712141617192936H161315H224H3b3028+
MFCD05727114
ZINC000101310256
ZINC000101310261
Check stock
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Check stock on Vitas-MAvailable files
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