Vitas-M small molecule compound

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

Catalog ID
STK598038
SMILES CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)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 C31H26ClN3O6S2 MW 636.15 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H26ClN3O6S2/c1-2-12-39-21-8-5-7-18(15-21)26-25(27(36)19-10-11-23-24(16-19)41-14-13-40-23)28(37)29(38)35(26)30-33-34-31(43-30)42-17-20-6-3-4-9-22(20)32/h3-11,15-16,26,36H,2,12-14,17H2,1H3/b27-25+
InChIKey
MMGBAGCJGIQDKJ-IMVLJIQESA-N
Synonyms
620575-93-1
(4E)1(5((2chlorobenzyl)sulfanyl)134thiadiazol2yl)4(23dihydro14benzodioxin6yl(hydroxy)methylidene)5(3propoxyphenyl)pyrrolidine23dione
(4E)1(5((2CHLOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(23DIHYDRO14BENZODIOXIN6YL(HYDROXY)METHYLIDENE)5(3PROPOXYPHENYL)PYRROLIDINE23DIONE
620575931
CCCOC1=CC=CC(=C1)C2C(=C(C3=CC4=C(C=C3)OCCO4)O)C(=O)C(=O)N2C5=NN=C(S5)SCC6=CC=CC=C6Cl
CCCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2Cl)C(=O)C(=O)C1=C(c1ccc2c(c1)OCCO2)O
InChI=1SC31H26ClN3O6S2c1212392185718(1521)2625(27(36)1910112324(1619)4114134023)28(37)29(38)35(26)30333431(4330)421720634922(20)32h31115162636H2121417H21H3b2725+
MFCD07211838
ZINC000150486541
ZINC000150486545

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Available files

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