Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK543086
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3C)N2CCN(CC2)CCO)/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 C23H29N5O4S2 MW 503.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H29N5O4S2/c1-16-5-3-6-27-19(16)24-20(26-10-8-25(9-11-26)12-13-29)17(21(27)30)15-18-22(31)28(23(33)34-18)7-4-14-32-2/h3,5-6,15,29H,4,7-14H2,1-2H3/b18-15-InChIKey
IINFGOVPMXXIHP-SDXDJHTJSA-NSynonyms
488812-47-1(5Z)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2hydroxyethyl)piperazin1yl)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
488812471
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)CCO
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3C)N2CCN(CC2)CCO)C1=O
InChI=1SC23H29N5O4S2c1165362719(16)2420(2610825(91126)121329)17(21(27)30)151822(31)28(23(33)3418)7414322h3561529H4714H212H3b1815
MFCD03293588
ZINC000013582282
ZINC13582282
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.