Vitas-M small molecule compound

(4E)-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione

Catalog ID
STL055695
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1nnc(s1)SCc1ccc(cc1)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 C33H31N3O4S2 MW 597.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C33H31N3O4S2/c1-18(2)22-9-11-23(12-10-22)28-27(29(37)24-13-14-26-25(16-24)15-20(4)40-26)30(38)31(39)36(28)32-34-35-33(42-32)41-17-21-7-5-19(3)6-8-21/h5-14,16,18,20,28,37H,15,17H2,1-4H3/b29-27+
InChIKey
RANMIEHHWOVNED-ORIPQNMZSA-N
Synonyms
893697-41-1
(4E)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
893697411
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=C(C=C5)C)C6=CC=C(C=C6)C(C)C)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1ccc(cc1)C(C)C)c1nnc(s1)SCc1ccc(cc1)C)O
InChI=1SC33H31N3O4S2c118(2)2291123(121022)2827(29(37)2413142625(1624)1520(4)4026)30(38)31(39)36(28)32343533(4232)4117217519(3)6821h5141618202837H1517H214H3b2927+
MFCD05732311
ZINC000102770948
ZINC000102770955

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Available files

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