Vitas-M small molecule compound
4-[(5Z)-5-{[2-(3-methylphenoxy)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK905806
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(Oc3cccc(c3)C)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 C23H19N3O5S2 MW 481.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19N3O5S2/c1-14-6-4-7-15(12-14)31-20-16(21(29)25-10-3-2-8-18(25)24-20)13-17-22(30)26(23(32)33-17)11-5-9-19(27)28/h2-4,6-8,10,12-13H,5,9,11H2,1H3,(H,27,28)/b17-13-InChIKey
GTXNEZAFIYVUMS-LGMDPLHJSA-NSynonyms
848208-23-1(Z)4(4oxo5((4oxo2(mtolyloxy)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin3yl)butanoicacid
4((5Z)5((2(3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
848208231
CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCCC(=O)O
InChI=1SC23H19N3O5S2c11464715(1214)312016(21(29)251032818(25)2420)131722(30)26(23(32)3317)115919(27)28h2468101213H5911H21H3(H2728)b1713
MFCD04188397
OC(=O)CCCN1C(=S)SC(=Cc2c(Oc3cccc(c3)C)nc3n(c2=O)cccc3)C1=O
ZINC000009185502
ZINC09185502
ZINC9185502
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.