Vitas-M small molecule compound
2-(4-benzylpiperazin-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
STK793958
SMILES Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccccc1)/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 C29H31N5O3S2 MW 561.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O3S2/c1-20-9-10-25-30-26(32-13-11-31(12-14-32)18-21-6-3-2-4-7-21)23(27(35)33(25)17-20)16-24-28(36)34(29(38)39-24)19-22-8-5-15-37-22/h2-4,6-7,9-10,16-17,22H,5,8,11-15,18-19H2,1H3/b24-16-InChIKey
KBSGVGTYVCVDAO-JLPGSUDCSA-NSynonyms
(5Z)5((2(4BENZYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4benzylpiperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4benzylpiperazin1yl)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)CC6=CC=CC=C6)C=C1
Cc1ccc2n(c1)c(=O)c(c(n2)N1CCN(CC1)Cc1ccccc1)C=C1SC(=S)N(C1=O)CC1CCCO1
InChI=1SC29H31N5O3S2c120910253026(32131131(121432)18216324721)23(27(35)33(25)1720)162428(36)34(29(38)3924)192285153722h2467910161722H5811151819H21H3b2416
MFCD02996665
ZINC000100762049
ZINC000100762055
Check stock
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