Vitas-M small molecule compound
methyl 4-[(3E)-3-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4,5-dioxopyrrolidin-2-yl]benzoate
Catalog ID
STK584926
SMILES COC(=O)c1ccc(cc1)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 C30H22FN3O7S2 MW 619.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H22FN3O7S2/c1-39-28(38)17-8-6-16(7-9-17)24-23(25(35)18-10-11-21-22(14-18)41-13-12-40-21)26(36)27(37)34(24)29-32-33-30(43-29)42-15-19-4-2-3-5-20(19)31/h2-11,14,24,35H,12-13,15H2,1H3/b25-23+InChIKey
RWDZHHAUIVRIPK-WJTDDFOZSA-NSynonyms
620577-96-0620577960
COC(=O)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6F
COC(=O)c1ccc(cc1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC30H22FN3O7S2c13928(38)178616(7917)2423(25(35)1810112122(1418)4113124021)26(36)27(37)34(24)29323330(4329)421519423520(19)31h211142435H121315H21H3b2523+
methyl4((3E)3(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)45dioxopyrrolidin2yl)benzoate
METHYL4((3E)3(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)45DIOXOPYRROLIDIN2YL)BENZOATE
MFCD07198487
ZINC000102597751
ZINC000102597757
Check stock
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Check stock on Vitas-MAvailable files
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