Vitas-M small molecule compound
(4E)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK581040
SMILES C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)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 C33H28ClN3O7S2 MW 678.19 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H28ClN3O7S2/c1-3-13-42-23-11-9-19(16-25(23)41-4-2)28-27(29(38)20-10-12-24-26(17-20)44-15-14-43-24)30(39)31(40)37(28)32-35-36-33(46-32)45-18-21-7-5-6-8-22(21)34/h3,5-12,16-17,28,38H,1,4,13-15,18H2,2H3/b29-27+InChIKey
QQRZUGDTNAWCKG-ORIPQNMZSA-NSynonyms
620576-38-7(4E)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
620576387
C=CCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
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=C6Cl)OCC=C
InChI=1SC33H28ClN3O7S2c1313422311919(1625(23)4142)2827(29(38)2010122426(1720)4415144324)30(39)31(40)37(28)32353633(4632)451821756822(21)34h351216172838H14131518H22H3b2927+
MFCD07202440
ZINC000150472769
ZINC000150472772
Check stock
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Check stock on Vitas-MAvailable files
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