Vitas-M small molecule compound
(4E)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(naphthalen-1-ylmethyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-5-[4-(propan-2-yl)phenyl]pyrrolidine-2,3-dione
Catalog ID
STK588567
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(cc1)C(C)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 C35H29N3O5S2 MW 635.76 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H29N3O5S2/c1-20(2)21-10-12-23(13-11-21)30-29(31(39)24-14-15-27-28(18-24)43-17-16-42-27)32(40)33(41)38(30)34-36-37-35(45-34)44-19-25-8-5-7-22-6-3-4-9-26(22)25/h3-15,18,20,30,39H,16-17,19H2,1-2H3/b31-29+InChIKey
PDMDNGJPODFPCH-OWWNRXNESA-NSynonyms
618855-57-5(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((naphthalen1ylmethyl)sulfanyl)134thiadiazol2yl)5(4(propan2yl)phenyl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5(NAPHTHALEN1YLMETHYLSULFANYL)134THIADIAZOL2YL)5(4PROPAN2YLPHENYL)PYRROLIDINE23DIONE
618855575
CC(C)C1=CC=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC7=CC=CC=C76
InChI=1SC35H29N3O5S2c120(2)21101223(131121)3029(31(39)2414152728(1824)4317164227)32(40)33(41)38(30)34363735(4534)44192585722634926(22)25h31518203039H161719H212H3b3129+
MFCD07205862
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C(N1c1nnc(s1)SCc1cccc2c1cccc2)c1ccc(cc1)C(C)C
ZINC000150479442
ZINC000150479445
Check stock
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Check stock on Vitas-MAvailable files
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