Vitas-M small molecule compound
4-[(5Z)-5-{[2-(2-fluorophenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STL238999
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(Oc3ccccc3F)nc3n(c2=O)cccc3)/C1=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 C22H16FN3O5S2 MW 485.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H16FN3O5S2/c23-14-6-1-2-7-15(14)31-19-13(20(29)25-10-4-3-8-17(25)24-19)12-16-21(30)26(22(32)33-16)11-5-9-18(27)28/h1-4,6-8,10,12H,5,9,11H2,(H,27,28)/b16-12-InChIKey
PRKCUTYQFSTOSA-VBKFSLOCSA-NSynonyms
845653-81-8(Z)4(5((2(2fluorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((2(2fluorophenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(2FLUOROPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
845653818
C1=CC=C(C(=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCC(=O)O)F
InChI=1SC22H16FN3O5S2c2314612715(14)311913(20(29)251043817(25)2419)121621(30)26(22(32)3316)115918(27)28h14681012H5911H2(H2728)b1612
MFCD04168057
OC(=O)CCCN1C(=S)SC(=Cc2c(Oc3ccccc3F)nc3n(c2=O)cccc3)C1=O
ZINC000009281592
ZINC09281592
ZINC9281592
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.