Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[3-(pentyloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK599587
SMILES CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C34H33N3O6S2 MW 643.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O6S2/c1-3-4-5-15-41-25-8-6-7-23(18-25)29-28(30(38)24-13-14-26-27(19-24)43-17-16-42-26)31(39)32(40)37(29)33-35-36-34(45-33)44-20-22-11-9-21(2)10-12-22/h6-14,18-19,29,38H,3-5,15-17,20H2,1-2H3/b30-28+InChIKey
IIGAALXFVCEBDG-SJCQXOIGSA-NSynonyms
620575-04-4(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(3(pentyloxy)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(3PENTOXYPHENYL)PYRROLIDINE23DIONE
620575044
CCCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C
CCCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC34H33N3O6S2c134515412586723(1825)2928(30(38)2413142627(1924)4317164226)31(39)32(40)37(29)33353634(4533)44202211921(2)101222h61418192938H35151720H212H3b3028+
MFCD07199478
ZINC000150486608
ZINC000150486612
Check stock
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Check stock on Vitas-MAvailable files
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