Vitas-M small molecule compound
2-(4-benzylpiperazin-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
STK794318
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(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 C29H31N5O3S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S2/c1-20-7-5-11-33-25(20)30-26(32-14-12-31(13-15-32)18-21-8-3-2-4-9-21)23(27(33)35)17-24-28(36)34(29(38)39-24)19-22-10-6-16-37-22/h2-5,7-9,11,17,22H,6,10,12-16,18-19H2,1H3/b24-17-InChIKey
UKCSRDWPZBSJEN-ULJHMMPZSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4benzylpiperazin1yl)9methyl3((Z)(4oxo3(tetrahydrofuran2ylmethyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4CCCO4)N5CCN(CC5)CC6=CC=CC=C6
InChI=1SC29H31N5O3S2c12075113325(20)3026(32141231(131532)18218324921)23(27(33)35)172428(36)34(29(38)3924)1922106163722h2579111722H61012161819H21H3b2417
MFCD03284396
S=C1SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)Cc2ccccc2)C(=O)N1CC1CCCO1
ZINC000100769929
ZINC000100769933
Check stock
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