Vitas-M small molecule compound
4-[(5Z)-5-({2-[4-(2-fluorophenyl)piperazin-1-yl]-9-methyl-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl}methylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
Catalog ID
STK881601
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)/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 C27H26FN5O4S2 MW 567.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26FN5O4S2/c1-17-6-4-10-32-23(17)29-24(31-14-12-30(13-15-31)20-8-3-2-7-19(20)28)18(25(32)36)16-21-26(37)33(27(38)39-21)11-5-9-22(34)35/h2-4,6-8,10,16H,5,9,11-15H2,1H3,(H,34,35)/b21-16-InChIKey
UMWWLDFHPRYDCG-PGMHBOJBSA-NSynonyms
(E)4(5((2(4(2fluorophenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((2(4(2fluorophenyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
4((5Z)5((2(4(2FLUOROPHENYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC(=O)O)N4CCN(CC4)C5=CC=CC=C5F
InChI=1SC27H26FN5O4S2c11764103223(17)2924(31141230(131531)20832719(20)28)18(25(32)36)162126(37)33(27(38)3921)115922(34)35h24681016H591115H21H3(H3435)b2116
MFCD18075911
OC(=O)CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)c2ccccc2F)C1=O
ZINC000097947268
ZINC97947268
Check stock
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Check stock on Vitas-MAvailable files
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