Vitas-M small molecule compound
(4E)-1-{5-[(2,4-dichlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-(4-methoxyphenyl)pyrrolidine-2,3-dione
Catalog ID
STK598705
SMILES COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)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 C29H21Cl2N3O6S2 MW 642.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H21Cl2N3O6S2/c1-38-19-7-3-15(4-8-19)24-23(25(35)16-5-9-21-22(12-16)40-11-10-39-21)26(36)27(37)34(24)28-32-33-29(42-28)41-14-17-2-6-18(30)13-20(17)31/h2-9,12-13,24,35H,10-11,14H2,1H3/b25-23+InChIKey
KLRNWIFWGCGFSE-WJTDDFOZSA-NSynonyms
618855-35-9(4E)1(5((24dichlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(4methoxyphenyl)pyrrolidine23dione
(4E)1(5((24DICHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(4METHOXYPHENYL)PYRROLIDINE23DIONE
618855359
COC1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=C(C=C(C=C6)Cl)Cl
COc1ccc(cc1)C1N(c2nnc(s2)SCc2ccc(cc2Cl)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC29H21Cl2N3O6S2c138197315(4819)2423(25(35)16592122(1216)4011103921)26(36)27(37)34(24)28323329(4228)4114172618(30)1320(17)31h2912132435H101114H21H3b2523+
MFCD07202434
ZINC000150481693
ZINC000150481696
Check stock
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Check stock on Vitas-MAvailable files
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