Vitas-M small molecule compound
(4E)-5-(3-butoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK596653
SMILES CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C33H31N3O6S2 MW 629.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O6S2/c1-3-4-14-40-24-7-5-6-22(17-24)28-27(29(37)23-12-13-25-26(18-23)42-16-15-41-25)30(38)31(39)36(28)32-34-35-33(44-32)43-19-21-10-8-20(2)9-11-21/h5-13,17-18,28,37H,3-4,14-16,19H2,1-2H3/b29-27+InChIKey
RRJRXYUKRBHSHM-ORIPQNMZSA-NSynonyms
620574-89-2(4E)5(3butoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)5(3BUTOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620574892
CCCCOC1=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)C
CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC33H31N3O6S2c13414402475622(1724)2827(29(37)2312132526(1823)4216154125)30(38)31(39)36(28)32343533(4432)43192110820(2)91121h51317182837H34141619H212H3b2927+
MFCD07207750
ZINC000102621257
ZINC000102621265
Check stock
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Check stock on Vitas-MAvailable files
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