Vitas-M small molecule compound
3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-2-(4-methylpiperazin-1-yl)-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK794447
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C)/C1=O
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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 C22H27N5O3S2 MW 473.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H27N5O3S2/c1-15-6-4-7-26-18(15)23-19(25-11-9-24(2)10-12-25)16(20(26)28)14-17-21(29)27(22(31)32-17)8-5-13-30-3/h4,6-7,14H,5,8-13H2,1-3H3/b17-14-InChIKey
GYUKUNQKLPYEDF-VKAVYKQESA-NSynonyms
361996-85-2(5Z)3(3METHOXYPROPYL)5((9METHYL2(4METHYLPIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(3methoxypropyl)5((9methyl2(4methylpiperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2(4methylpiperazin1yl)4Hpyrido(12a)pyrimidin4one
361996852
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)C
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)C)C1=O
InChI=1SC22H27N5O3S2c1156472618(15)2319(2511924(2)101225)16(20(26)28)141721(29)27(22(31)3217)8513303h46714H5813H213H3b1714
MFCD01954917
ZINC000002388409
ZINC2388409
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.