Vitas-M small molecule compound

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

Catalog ID
STK595754
SMILES CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)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 C34H33N3O7S2 MW 659.78 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H33N3O7S2/c1-4-14-42-24-12-10-22(17-26(24)41-5-2)29-28(30(38)23-11-13-25-27(18-23)44-16-15-43-25)31(39)32(40)37(29)33-35-36-34(46-33)45-19-21-8-6-20(3)7-9-21/h6-13,17-18,29,38H,4-5,14-16,19H2,1-3H3/b30-28+
InChIKey
PDEIGHZULVIIMG-SJCQXOIGSA-N
Synonyms
620575-19-1
(4E)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3ethoxy4propoxyphenyl)1(5((4methylbenzyl)sulfanyl)134thiadiazol2yl)pyrrolidine23dione
(4E)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3ETHOXY4PROPOXYPHENYL)1(5((4METHYLPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)PYRROLIDINE23DIONE
620575191
CCCOC1=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
CCCOc1ccc(cc1OCC)C1N(c2nnc(s2)SCc2ccc(cc2)C)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC34H33N3O7S2c14144224121022(1726(24)4152)2928(30(38)2311132527(1823)4416154325)31(39)32(40)37(29)33353634(4633)4519218620(3)7921h61317182938H45141619H213H3b3028+
MFCD07201374
ZINC000150484755
ZINC000150484758

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Available files

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