Vitas-M small molecule compound
3-[(5Z)-5-{[2-(2-fluorophenoxy)-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
Catalog ID
STK906583
SMILES OC(=O)CCN1C(=S)S/C(=C\c2c(Oc3ccccc3F)nc3n(c2=O)cccc3C)/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/c1-12-5-4-9-25-18(12)24-19(31-15-7-3-2-6-14(15)23)13(20(25)29)11-16-21(30)26(22(32)33-16)10-8-17(27)28/h2-7,9,11H,8,10H2,1H3,(H,27,28)/b16-11-InChIKey
YOLFMFKJITYCHN-WJDWOHSUSA-NSynonyms
847159-80-2(Z)3(5((2(2fluorophenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)propanoicacid
3((5Z)5((2(2fluorophenoxy)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)propanoicacid
3((5Z)5((2(2FLUOROPHENOXY)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)PROPANOICACID
847159802
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC(=O)O)OC4=CC=CC=C4F
InChI=1SC22H16FN3O5S2c1125492518(12)2419(3115732614(15)23)13(20(25)29)111621(30)26(22(32)3316)10817(27)28h27911H810H21H3(H2728)b1611
MFCD04182700
OC(=O)CCN1C(=S)SC(=Cc2c(Oc3ccccc3F)nc3n(c2=O)cccc3C)C1=O
ZINC000002367193
ZINC02367193
ZINC2367193
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.