Vitas-M small molecule compound
2-[4-(4-methoxyphenyl)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
STK823663
SMILES COc1ccc(cc1)N1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CC1CCCO1)C
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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 C29H31N5O4S2 MW 577.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H31N5O4S2/c1-19-5-10-25-30-26(32-13-11-31(12-14-32)20-6-8-21(37-2)9-7-20)23(27(35)33(25)17-19)16-24-28(36)34(29(39)40-24)18-22-4-3-15-38-22/h5-10,16-17,22H,3-4,11-15,18H2,1-2H3/b24-16-InChIKey
JFZXPRGFEWPSIU-JLPGSUDCSA-NSynonyms
(5Z)5((2(4(4METHOXYPHENYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(OXOLAN2YLMETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(4methoxyphenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3((tetrahydrofuran2yl)methyl)2thioxothiazolidin4one
2(4(4methoxyphenyl)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)OC)C=C1
InChI=1SC29H31N5O4S2c119510253026(32131131(121432)206821(372)9720)23(27(35)33(25)1719)162428(36)34(29(39)4024)182243153822h510161722H34111518H212H3b2416
MFCD03464166
ZINC000100762488
ZINC000100762492
Check stock
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Check stock on Vitas-MAvailable files
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