Vitas-M small molecule compound

3-[(Z)-(3-cyclohexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-9-methyl-2-{[3-(propan-2-yloxy)propyl]amino}-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK881226
SMILES CC(OCCCNc1nc2c(C)cccn2c(=O)c1/C=C/1\SC(=S)N(C1=O)C1CCCCC1)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 C25H32N4O3S2 MW 500.69 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N4O3S2/c1-16(2)32-14-8-12-26-21-19(23(30)28-13-7-9-17(3)22(28)27-21)15-20-24(31)29(25(33)34-20)18-10-5-4-6-11-18/h7,9,13,15-16,18,26H,4-6,8,10-12,14H2,1-3H3/b20-15-
InChIKey
RBWMEKJVCWFZGX-HKWRFOASSA-N
Synonyms
840457-07-0
(5Z)3CYCLOHEXYL5((9METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3cyclohexyl5((2((3isopropoxypropyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3cyclohexyl4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
840457070
CC(OCCCNc1nc2c(C)cccn2c(=O)c1C=C1SC(=S)N(C1=O)C1CCCCC1)C
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)C4CCCCC4)NCCCOC(C)C
InChI=1SC25H32N4O3S2c116(2)3214812262119(23(30)28137917(3)22(28)2721)152024(31)29(25(33)3420)18105461118h791315161826H468101214H213H3b2015
MFCD03694318
ZINC000009464143
ZINC9464143

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Available files

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