Vitas-M small molecule compound
3-[(Z)-{3-[2-(4-methoxyphenyl)ethyl]-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
STK706691
SMILES COc1ccc(cc1)CCN1C(=S)S/C(=C\c2c(NCCCOC(C)C)nc3n(c2=O)cccc3C)/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 C28H32N4O4S2 MW 552.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O4S2/c1-18(2)36-16-6-13-29-24-22(26(33)31-14-5-7-19(3)25(31)30-24)17-23-27(34)32(28(37)38-23)15-12-20-8-10-21(35-4)11-9-20/h5,7-11,14,17-18,29H,6,12-13,15-16H2,1-4H3/b23-17-InChIKey
BMGLSCPRZTZTDQ-QJOMJCCJSA-NSynonyms
(5Z)3(2(4METHOXYPHENYL)ETHYL)5((9METHYL4OXO2(3PROPAN2YLOXYPROPYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((3isopropoxypropyl)amino)9methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(4methoxyphenethyl)2thioxothiazolidin4one
3((Z)(3(2(4methoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)9methyl2((3(propan2yloxy)propyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCC4=CC=C(C=C4)OC)NCCCOC(C)C
COc1ccc(cc1)CCN1C(=S)SC(=Cc2c(NCCCOC(C)C)nc3n(c2=O)cccc3C)C1=O
InChI=1SC28H32N4O4S2c118(2)3616613292422(26(33)31145719(3)25(31)3024)172327(34)32(28(37)3823)15122081021(354)11920h571114171829H612131516H214H3b2317
MFCD03688080
ZINC000097947231
ZINC97947231
Check stock
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Check stock on Vitas-MAvailable files
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