Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-1-{5-[(2-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione
Catalog ID
STK586352
SMILES CCCCOc1cccc(c1)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 C32H28ClN3O6S2 MW 650.18 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28ClN3O6S2/c1-2-3-13-40-22-9-6-8-19(16-22)27-26(28(37)20-11-12-24-25(17-20)42-15-14-41-24)29(38)30(39)36(27)31-34-35-32(44-31)43-18-21-7-4-5-10-23(21)33/h4-12,16-17,27,37H,2-3,13-15,18H2,1H3/b28-26+InChIKey
WUNPPVGYBQJZLO-BYCLXTJYSA-NSynonyms
620576-03-6(4E)5(3butoxyphenyl)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
(4E)5(3BUTOXYPHENYL)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)PYRROLIDINE23DIONE
620576036
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6Cl
CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC32H28ClN3O6S2c12313402296819(1622)2726(28(37)2011122425(1720)4215144124)29(38)30(39)36(27)31343532(4431)4318217451023(21)33h41216172737H23131518H21H3b2826+
MFCD07209238
ZINC000150477264
ZINC000150477266
Check stock
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Check stock on Vitas-MAvailable files
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