Vitas-M small molecule compound
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810642
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(NCCCn3cncc3)nc3n(c2=O)cccc3C)/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 C28H28N6O3S2 MW 560.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H28N6O3S2/c1-19-5-3-14-33-25(19)31-24(30-11-4-13-32-16-12-29-18-32)22(26(33)35)17-23-27(36)34(28(38)39-23)15-10-20-6-8-21(37-2)9-7-20/h3,5-9,12,14,16-18,30H,4,10-11,13,15H2,1-2H3/b23-17-InChIKey
QCPYENZVMNQEOA-QJOMJCCJSA-NSynonyms
(5Z)5((2(3IMIDAZOL1YLPROPYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2(4METHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2((3(1Himidazol1yl)propyl)amino)3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)NCCCN5C=CN=C5
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(NCCCn3cncc3)nc3n(c2=O)cccc3C)C1=O
InChI=1SC28H28N6O3S2c11953143325(19)3124(3011413321612291832)22(26(33)35)172327(36)34(28(38)3923)1510206821(372)9720h3591214161830H410111315H212H3b2317
MFCD03932999
ZINC000100840449
ZINC100840449
Check stock
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Check stock on Vitas-MAvailable files
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