Vitas-M small molecule compound

(4E)-1-{5-[(2-fluorobenzyl)sulfanyl]-1,3,4-thiadiazol-2-yl}-4-[hydroxy(2-methyl-2,3-dihydro-1-benzofuran-5-yl)methylidene]-5-(3-hydroxyphenyl)pyrrolidine-2,3-dione

Catalog ID
STK596404
SMILES CC1Oc2c(C1)cc(cc2)/C(=C/1\C(=O)C(=O)N(C1c1cccc(c1)O)c1nnc(s1)SCc1ccccc1F)/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 C29H22FN3O5S2 MW 575.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H22FN3O5S2/c1-15-11-19-12-17(9-10-22(19)38-15)25(35)23-24(16-6-4-7-20(34)13-16)33(27(37)26(23)36)28-31-32-29(40-28)39-14-18-5-2-3-8-21(18)30/h2-10,12-13,15,24,34-35H,11,14H2,1H3/b25-23+
InChIKey
MPHNXZIRBAMDLZ-WJTDDFOZSA-N
Synonyms
897835-72-2
(4E)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3hydroxyphenyl)pyrrolidine23dione
(4E)1(5((2fluorophenyl)methylsulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3hydroxyphenyl)pyrrolidine23dione
897835722
CC1CC2=C(O1)C=CC(=C2)C(=C3C(N(C(=O)C3=O)C4=NN=C(S4)SCC5=CC=CC=C5F)C6=CC(=CC=C6)O)O
CC1Oc2c(C1)cc(cc2)C(=C1C(=O)C(=O)N(C1c1cccc(c1)O)c1nnc(s1)SCc1ccccc1F)O
InChI=1SC29H22FN3O5S2c11511191217(91022(19)3815)25(35)2324(1664720(34)1316)33(27(37)26(23)36)28313229(4028)391418523821(18)30h210121315243435H1114H21H3b2523+
MFCD07203022
ZINC000102620591
ZINC000102679218

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Available files

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