Vitas-M small molecule compound
3-[(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]propanoic acid
Catalog ID
STK905807
SMILES OC(=O)CCN1C(=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 C22H17N3O5S2 MW 467.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H17N3O5S2/c1-13-5-4-6-14(11-13)30-19-15(20(28)24-9-3-2-7-17(24)23-19)12-16-21(29)25(22(31)32-16)10-8-18(26)27/h2-7,9,11-12H,8,10H2,1H3,(H,26,27)/b16-12-InChIKey
GZXFECQOEPLSEQ-VBKFSLOCSA-NSynonyms
848690-02-8(Z)3(4oxo5((4oxo2(mtolyloxy)4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin3yl)propanoicacid
3((5Z)5((2(3methylphenoxy)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(3METHYLPHENOXY)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
848690028
CC1=CC(=CC=C1)OC2=C(C(=O)N3C=CC=CC3=N2)C=C4C(=O)N(C(=S)S4)CCC(=O)O
InChI=1SC22H17N3O5S2c11354614(1113)301915(20(28)24932717(24)2319)121621(29)25(22(31)3216)10818(26)27h2791112H810H21H3(H2627)b1612
MFCD04192521
OC(=O)CCN1C(=S)SC(=Cc2c(Oc3cccc(c3)C)nc3n(c2=O)cccc3)C1=O
ZINC000009209648
ZINC09209648
ZINC9209648
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.