Vitas-M small molecule compound

2-(3,4-dihydroisoquinolin-2(1H)-yl)-9-methyl-3-[(Z)-(4-oxo-3-pentyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK707214
SMILES CCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)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 C27H28N4O2S2 MW 504.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O2S2/c1-3-4-7-13-31-26(33)22(35-27(31)34)16-21-24(28-23-18(2)9-8-14-30(23)25(21)32)29-15-12-19-10-5-6-11-20(19)17-29/h5-6,8-11,14,16H,3-4,7,12-13,15,17H2,1-2H3/b22-16-
InChIKey
NYYWXWLACUCNRK-JWGURIENSA-N
Synonyms
840496-26-6
(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PENTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(34dihydroisoquinolin2(1H)yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3pentyl2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)9methyl3((Z)(4oxo3pentyl2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
840496266
CCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)N4CCC5=CC=CC=C5C4)SC1=S
CCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCc3c(C2)cccc3)C1=O
InChI=1SC27H28N4O2S2c1347133126(33)22(3527(31)34)162124(282318(2)981430(23)25(21)32)2915121910561120(19)1729h568111416H34712131517H212H3b2216
MFCD04008153
ZINC000009463793
ZINC9463793

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Available files

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