Vitas-M small molecule compound
(4E)-5-[3-ethoxy-4-(3-methylbutoxy)phenyl]-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK570090
SMILES CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C37H39N3O6S2 MW 685.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H39N3O6S2/c1-6-44-30-19-25(11-14-29(30)45-16-15-21(2)3)32-31(33(41)26-12-13-28-27(18-26)17-23(5)46-28)34(42)35(43)40(32)36-38-39-37(48-36)47-20-24-9-7-22(4)8-10-24/h7-14,18-19,21,23,32,41H,6,15-17,20H2,1-5H3/b33-31+InChIKey
UINYYWOMOFCRBU-QOSDPKFLSA-NSynonyms
(4E)5(3ethoxy4(3methylbutoxy)phenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)5(3ETHOXY4(3METHYLBUTOXY)PHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C)OCCC(C)C
CCOc1cc(ccc1OCCC(C)C)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC37H39N3O6S2c1644301925(111429(30)45161521(2)3)3231(33(41)2612132827(1826)1723(5)4628)34(42)35(43)40(32)36383937(4836)4720249722(4)81024h714181921233241H6151720H215H3b3331+
MFCD05737691
ZINC000150424234
ZINC000150424252
Check stock
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Check stock on Vitas-MAvailable files
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