Vitas-M small molecule compound
3-[(E)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-[(3-ethoxypropyl)amino]-9-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL200699
SMILES CCOCCCNc1nc2c(C)cccn2c(=O)c1/C=C\1/SC(=S)N(C1=O)Cc1ccccc1
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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 C25H26N4O3S2 MW 494.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O3S2/c1-3-32-14-8-12-26-21-19(23(30)28-13-7-9-17(2)22(28)27-21)15-20-24(31)29(25(33)34-20)16-18-10-5-4-6-11-18/h4-7,9-11,13,15,26H,3,8,12,14,16H2,1-2H3/b20-15+InChIKey
LRGPCVUAUBGACB-HMMYKYKNSA-NSynonyms
(5E)3benzyl5((2(3ethoxypropylamino)9methyl4oxopyrido(12a)pyrimidin3yl)methylidene)2sulfanylidene13thiazolidin4one
(Z)3benzyl5((2((3ethoxypropyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((E)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2((3ethoxypropyl)amino)9methyl4Hpyrido(12a)pyrimidin4one
CCOCCCNC1=C(C(=O)N2C=CC=C(C2=N1)C)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4
CCOCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1
InChI=1SC25H26N4O3S2c133214812262119(23(30)28137917(2)22(28)2721)152024(31)29(25(33)3420)1618105461118h47911131526H38121416H212H3b2015+
MFCD04441235
ZINC000028629658
ZINC28629658
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