Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-5-[3-ethoxy-4-(pentyloxy)phenyl]-1-{5-[(4-methylbenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione
Catalog ID
STK596123
SMILES CCCCCOc1ccc(cc1OCC)C1/C(=C(/c2ccc3c(c2)OCCO3)\O)/C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)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 C36H37N3O7S2 MW 687.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C36H37N3O7S2/c1-4-6-7-16-44-26-14-12-24(19-28(26)43-5-2)31-30(32(40)25-13-15-27-29(20-25)46-18-17-45-27)33(41)34(42)39(31)35-37-38-36(48-35)47-21-23-10-8-22(3)9-11-23/h8-15,19-20,31,40H,4-7,16-18,21H2,1-3H3/b32-30+InChIKey
JSDQHWDQKBHQLC-NHQGMKOOSA-NSynonyms
620575-39-5(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4(pentyloxy)phenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PENTOXYPHENYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620575395
CCCCCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=C(C=C6)C)OCC
CCCCCOc1ccc(cc1OCC)C1C(=C(c2ccc3c(c2)OCCO3)O)C(=O)C(=O)N1c1nnc(s1)SCc1ccc(cc1)C
InChI=1SC36H37N3O7S2c1467164426141224(1928(26)4352)3130(32(40)2513152729(2025)4618174527)33(41)34(42)39(31)35373836(4835)47212310822(3)91123h81519203140H47161821H213H3b3230+
MFCD07212178
ZINC000150484893
ZINC000150484895
Check stock
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Check stock on Vitas-MAvailable files
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