Vitas-M small molecule compound
2-{[3-(1H-imidazol-1-yl)propyl]amino}-3-{(Z)-[4-oxo-3-(propan-2-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK876673
SMILES CC(N1C(=S)S/C(=C\c2c(NCCCn3cncc3)nc3n(c2=O)cccc3)/C1=O)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 C21H22N6O2S2 MW 454.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O2S2/c1-14(2)27-20(29)16(31-21(27)30)12-15-18(23-7-5-9-25-11-8-22-13-25)24-17-6-3-4-10-26(17)19(15)28/h3-4,6,8,10-14,23H,5,7,9H2,1-2H3/b16-12-InChIKey
QWAAZARVGZELES-VBKFSLOCSA-NSynonyms
442552-43-4(5Z)5((2(3IMIDAZOL1YLPROPYLAMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROPAN2YL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3(1Himidazol1yl)propyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3isopropyl2thioxothiazolidin4one
2((3(1Himidazol1yl)propyl)amino)3((Z)(4oxo3(propan2yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
442552434
5((2((3IMIDAZOLYLPROPYL)AMINO)4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(METHYLETHYL)2THIOXO13THIAZOLIDIN4ONE
CC(C)N1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCCCN4C=CN=C4)SC1=S
CC(N1C(=S)SC(=Cc2c(NCCCn3cncc3)nc3n(c2=O)cccc3)C1=O)C
InChI=1SC21H22N6O2S2c114(2)2720(29)16(3121(27)30)121518(2375925118221325)24176341026(17)19(15)28h3468101423H579H212H3b1612
MFCD03287380
ZINC000006015140
ZINC6015140
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