Vitas-M small molecule compound
(4E)-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-5-(3-butoxyphenyl)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]pyrrolidine-2,3-dione
Catalog ID
STL042066
SMILES CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C33H31N3O5S2 MW 613.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O5S2/c1-3-4-15-40-25-12-8-11-22(18-25)28-27(29(37)23-13-14-26-24(17-23)16-20(2)41-26)30(38)31(39)36(28)32-34-35-33(43-32)42-19-21-9-6-5-7-10-21/h5-14,17-18,20,28,37H,3-4,15-16,19H2,1-2H3/b29-27+InChIKey
VJHROUKXINXEAE-ORIPQNMZSA-NSynonyms
893698-12-9(4E)1(5(benzylsulfanyl)134thiadiazol2yl)5(3butoxyphenyl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)pyrrolidine23dione
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)5(3BUTOXYPHENYL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)PYRROLIDINE23DIONE
893698129
CCCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OC(C4)C)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6
CCCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
InChI=1SC33H31N3O5S2c1341540251281122(1825)2827(29(37)2313142624(1723)1620(2)4126)30(38)31(39)36(28)32343533(4332)42192196571021h5141718202837H34151619H212H3b2927+
MFCD05737249
ZINC000102869505
ZINC000102869514
Check stock
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Check stock on Vitas-MAvailable files
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