Vitas-M small molecule compound
2-(4-benzylpiperidin-1-yl)-9-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
STK793907
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCC(CC2)Cc2ccccc2)/C(=O)N1CC1CCCO1
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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 C30H32N4O3S2 MW 560.74 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32N4O3S2/c1-20-7-5-13-33-26(20)31-27(32-14-11-22(12-15-32)17-21-8-3-2-4-9-21)24(28(33)35)18-25-29(36)34(30(38)39-25)19-23-10-6-16-37-23/h2-5,7-9,13,18,22-23H,6,10-12,14-17,19H2,1H3/b25-18-InChIKey
OARLUMXMHPCEIX-BWAHOGKJSA-NSynonyms
(5Z)5((2(4BENZYLPIPERIDIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperidin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4benzylpiperidin1yl)9methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCC(CC5)CC6=CC=CC=C6
InChI=1SC30H32N4O3S2c12075133326(20)3127(32141122(121532)17218324921)24(28(33)35)182529(36)34(30(38)3925)1923106163723h257913182223H61012141719H21H3b2518
MFCD02994440
ZINC000100761946
ZINC000100761952
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