Vitas-M small molecule compound

(4E)-5-(3,4-diethoxyphenyl)-4-[2,3-dihydro-1,4-benzodioxin-6-yl(hydroxy)methylidene]-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}pyrrolidine-2,3-dione

Catalog ID
STK585504
SMILES CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)OCCO2)/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 C32H28FN3O7S2 MW 649.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H28FN3O7S2/c1-3-40-22-11-9-18(15-24(22)41-4-2)27-26(28(37)19-10-12-23-25(16-19)43-14-13-42-23)29(38)30(39)36(27)31-34-35-32(45-31)44-17-20-7-5-6-8-21(20)33/h5-12,15-16,27,37H,3-4,13-14,17H2,1-2H3/b28-26+
InChIKey
QXWNMBQFAXVJTM-BYCLXTJYSA-N
Synonyms
620578-55-4
(4E)5(34diethoxyphenyl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)5(34DIETHOXYPHENYL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620578554
CCOC1=C(C=C(C=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6F)OCC
CCOc1cc(ccc1OCC)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC32H28FN3O7S2c13402211918(1524(22)4142)2726(28(37)1910122325(1619)4314134223)29(38)30(39)36(27)31343532(4531)441720756821(20)33h51215162737H34131417H212H3b2826+
MFCD07202270
ZINC000150418423
ZINC000150418432

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Available files

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