Vitas-M small molecule compound

3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK903871
SMILES CC(OCCCNc1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)Cc1ccccc1)C)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 C26H28N4O3S2 MW 508.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H28N4O3S2/c1-17(2)33-13-7-12-27-23-20(24(31)29-15-18(3)10-11-22(29)28-23)14-21-25(32)30(26(34)35-21)16-19-8-5-4-6-9-19/h4-6,8-11,14-15,17,27H,7,12-13,16H2,1-3H3/b21-14-
InChIKey
KQROYQIEVWXDEZ-STZFKDTASA-N
Synonyms
836625-73-1
(5Z)3BENZYL5((7METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((2((3isopropoxypropyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
836625731
CC(OCCCNc1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)Cc1ccccc1)C)C
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC4=CC=CC=C4)NCCCOC(C)C)C=C1
InChI=1SC26H28N4O3S2c117(2)3313712272320(24(31)291518(3)101122(29)2823)142125(32)30(26(34)3521)16198546919h4681114151727H7121316H213H3b2114
MFCD03688095
ZINC000009461464
ZINC09461464
ZINC9461464

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.