Vitas-M small molecule compound

3-[(Z)-(3-heptyl-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
STK904250
SMILES CCCCCCCN1C(=S)S/C(=C\c2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)/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 C26H36N4O3S2 MW 516.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36N4O3S2/c1-5-6-7-8-9-14-29-25(32)21(35-26(29)34)16-20-23(27-13-10-15-33-18(2)3)28-22-12-11-19(4)17-30(22)24(20)31/h11-12,16-18,27H,5-10,13-15H2,1-4H3/b21-16-
InChIKey
GRKYMPORGVQCHF-PGMHBOJBSA-N
Synonyms
836633-57-9
(5Z)3HEPTYL5((7METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3heptyl5((2((3isopropoxypropyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3heptyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
836633579
CCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)NCCCOC(C)C)SC1=S
CCCCCCCN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC26H36N4O3S2c156789142925(32)21(3526(29)34)162023(271310153318(2)3)2822121119(4)1730(22)24(20)31h1112161827H5101315H214H3b2116
MFCD03689269
ZINC000101009914
ZINC101009914

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Available files

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