Vitas-M small molecule compound
3-[(Z)-(3-heptyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-{[3-(1H-imidazol-1-yl)propyl]amino}-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK810640
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCCCn3ccnc3)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 C26H32N6O2S2 MW 524.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H32N6O2S2/c1-3-4-5-6-7-14-32-25(34)21(36-26(32)35)17-20-22(28-11-9-13-30-16-12-27-18-30)29-23-19(2)10-8-15-31(23)24(20)33/h8,10,12,15-18,28H,3-7,9,11,13-14H2,1-2H3/b21-17-InChIKey
JEJDHDOCQSIHMV-FXBPSFAMSA-NSynonyms
(5Z)3HEPTYL5((2(3IMIDAZOL1YLPROPYLAMINO)9METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((3(1Himidazol1yl)propyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
CCCCCCCN1C(=O)C(=CC2=C(N=C3C(=CC=CN3C2=O)C)NCCCN4C=CN=C4)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCCCn3ccnc3)nc3n(c2=O)cccc3C)C1=O
InChI=1SC26H32N6O2S2c134567143225(34)21(3626(32)35)172022(2811913301612271830)292319(2)1081531(23)24(20)33h81012151828H379111314H212H3b2117
MFCD04593842
ZINC000097946333
ZINC97946333
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