Vitas-M small molecule compound
(4E)-1-{5-[(4-chlorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-(3-methylbutoxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK577848
SMILES CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/O)C
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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 C33H30ClN3O6S2 MW 664.20 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H30ClN3O6S2/c1-19(2)12-13-41-24-5-3-4-21(16-24)28-27(29(38)22-8-11-25-26(17-22)43-15-14-42-25)30(39)31(40)37(28)32-35-36-33(45-32)44-18-20-6-9-23(34)10-7-20/h3-11,16-17,19,28,38H,12-15,18H2,1-2H3/b29-27+InChIKey
VETUPAJPKBPDAA-ORIPQNMZSA-NSynonyms
620577-37-9(4E)1(5((4chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3(3methylbutoxy)phenyl)pyrrolidine23dione
(4E)1(5((4CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3(3METHYLBUTOXY)PHENYL)PYRROLIDINE23DIONE
620577379
CC(C)CCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)Cl
CC(CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O)C
InChI=1SC33H30ClN3O6S2c119(2)1213412453421(1624)2827(29(38)228112526(1722)4315144225)30(39)31(40)37(28)32353633(4532)4418206923(34)10720h3111617192838H121518H212H3b2927+
MFCD07210278
ZINC000150471577
ZINC000150471581
Check stock
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Check stock on Vitas-MAvailable files
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