Vitas-M small molecule compound
(4E)-5-[4-(benzyloxy)-3-ethoxyphenyl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK590819
SMILES CCOc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)SCc2ccccc2F)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 C37H30FN3O7S2 MW 711.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H30FN3O7S2/c1-2-45-29-18-23(12-14-28(29)48-20-22-8-4-3-5-9-22)32-31(33(42)24-13-15-27-30(19-24)47-17-16-46-27)34(43)35(44)41(32)36-39-40-37(50-36)49-21-25-10-6-7-11-26(25)38/h3-15,18-19,32,42H,2,16-17,20-21H2,1H3/b33-31+InChIKey
UYEXYXJSTSWRPN-QOSDPKFLSA-NSynonyms
620578-70-3(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PHENYLMETHOXYPHENYL)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
(4E)5(4(benzyloxy)3ethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
620578703
CCOC1=C(C=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6F)OCC7=CC=CC=C7
CCOc1cc(ccc1OCc1ccccc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC37H30FN3O7S2c1245291823(121428(29)4820228435922)3231(33(42)2413152730(1924)4717164627)34(43)35(44)41(32)36394037(5036)49212510671126(25)38h31518193242H216172021H21H3b3331+
MFCD07198985
ZINC000150440078
ZINC000150440084
Check stock
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Check stock on Vitas-MAvailable files
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