Vitas-M small molecule compound

2-[4-(4-fluorophenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(tetrahydrofuran-2-ylmethyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK903857
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)c1ccc(cc1)F)/C=C/1\SC(=S)N(C1=O)CC1CCCO1

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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 C28H28FN5O3S2 MW 565.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28FN5O3S2/c1-18-4-9-24-30-25(32-12-10-31(11-13-32)20-7-5-19(29)6-8-20)22(26(35)33(24)16-18)15-23-27(36)34(28(38)39-23)17-21-3-2-14-37-21/h4-9,15-16,21H,2-3,10-14,17H2,1H3/b23-15-
InChIKey
OLAFOUKPRBFKGJ-HAHDFKILSA-N
Synonyms

(5Z)5((2(4(4FLUOROPHENYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(4fluorophenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4(4fluorophenyl)piperazin1yl)7methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)C6=CC=C(C=C6)F)C=C1
InChI=1SC28H28FN5O3S2c11849243025(32121031(111332)207519(29)6820)22(26(35)33(24)1618)152327(36)34(28(38)3923)172132143721h49151621H23101417H21H3b2315
MFCD18075959
ZINC000097947294
ZINC000097947295

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.