Vitas-M small molecule compound

3-{(Z)-[3-(2-methoxyethyl)-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
STK903876
SMILES COCCN1C(=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 C22H28N4O4S2 MW 476.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H28N4O4S2/c1-14(2)30-10-5-8-23-19-16(20(27)26-13-15(3)6-7-18(26)24-19)12-17-21(28)25(9-11-29-4)22(31)32-17/h6-7,12-14,23H,5,8-11H2,1-4H3/b17-12-
InChIKey
DEWSXBGBVKELPQ-ATVHPVEESA-N
Synonyms
840456-64-6
(5Z)3(2METHOXYETHYL)5((7METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3isopropoxypropyl)amino)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(2methoxyethyl)2thioxothiazolidin4one
3((Z)(3(2methoxyethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
840456646
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCOC)NCCCOC(C)C)C=C1
COCCN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cc(cc3)C)C1=O
InChI=1SC22H28N4O4S2c114(2)301058231916(20(27)261315(3)6718(26)2419)121721(28)25(911294)22(31)3217h67121423H5811H214H3b1712
MFCD03694211
ZINC000009464109
ZINC09464109
ZINC9464109

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Available files

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