Vitas-M small molecule compound

(4E)-5-[3-(benzyloxy)phenyl]-1-[5-(benzylsulfanyl)-1,3,4-thiadiazol-2-yl]-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]pyrrolidine-2,3-dione

Catalog ID
STK581703
SMILES O=C1C(=O)/C(=C(\c2ccc3c(c2)OCCO3)/O)/C(N1c1nnc(s1)SCc1ccccc1)c1cccc(c1)OCc1ccccc1

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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 C35H27N3O6S2 MW 649.75 g/mol Purity >90% as per NMR
InChI
InChI=1S/C35H27N3O6S2/c39-31(25-14-15-27-28(19-25)43-17-16-42-27)29-30(24-12-7-13-26(18-24)44-20-22-8-3-1-4-9-22)38(33(41)32(29)40)34-36-37-35(46-34)45-21-23-10-5-2-6-11-23/h1-15,18-19,30,39H,16-17,20-21H2/b31-29+
InChIKey
OFLMJCYBXKLZRE-OWWNRXNESA-N
Synonyms
620573-85-5
(4E)1(5BENZYLSULFANYL134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PHENYLMETHOXYPHENYL)PYRROLIDINE23DIONE
(4E)5(3(benzyloxy)phenyl)1(5(benzylsulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)pyrrolidine23dione
620573855
C1COC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5)C6=CC(=CC=C6)OCC7=CC=CC=C7)O
InChI=1SC35H27N3O6S2c3931(2514152728(1925)4317164227)2930(241271326(1824)4420228314922)38(33(41)32(29)40)34363735(4634)452123105261123h11518193039H16172021H2b3129+
MFCD07203515
O=C1C(=O)C(=C(c2ccc3c(c2)OCCO3)O)C(N1c1nnc(s1)SCc1ccccc1)c1cccc(c1)OCc1ccccc1
ZINC000150422202
ZINC000150422206

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Available files

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