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-(prop-2-en-1-yloxy)phenyl]pyrrolidine-2,3-dione
Catalog ID
STL053672
SMILES C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)/C/1=C(\c1ccc2c(c1)CC(O2)C)/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 C32H26FN3O5S2 MW 615.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H26FN3O5S2/c1-3-13-40-23-9-6-8-19(16-23)27-26(28(37)20-11-12-25-22(15-20)14-18(2)41-25)29(38)30(39)36(27)31-34-35-32(43-31)42-17-21-7-4-5-10-24(21)33/h3-12,15-16,18,27,37H,1,13-14,17H2,2H3/b28-26+InChIKey
XPIZKVVEMNGGDW-BYCLXTJYSA-NSynonyms
893699-69-9(4E)1(5((2fluorobenzyl)sulfanyl)134thiadiazol2yl)4(hydroxy(2methyl23dihydro1benzofuran5yl)methylidene)5(3(prop2en1yloxy)phenyl)pyrrolidine23dione
(4E)1(5((2FLUOROPHENYL)METHYLSULFANYL)134THIADIAZOL2YL)4(HYDROXY(2METHYL23DIHYDRO1BENZOFURAN5YL)METHYLIDENE)5(3PROP2ENOXYPHENYL)PYRROLIDINE23DIONE
893699699
C=CCOc1cccc(c1)C1N(c2nnc(s2)SCc2ccccc2F)C(=O)C(=O)C1=C(c1ccc2c(c1)CC(O2)C)O
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)OCC=C)O
InChI=1SC32H26FN3O5S2c1313402396819(1623)2726(28(37)2011122522(1520)1418(2)4125)29(38)30(39)36(27)31343532(4331)4217217451024(21)33h3121516182737H1131417H22H3b2826+
MFCD05736187
ZINC000101316971
ZINC000101316977
Check stock
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Check stock on Vitas-MAvailable files
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