Vitas-M small molecule compound
2-[4-(2-methoxyphenyl)piperazin-1-yl]-3-{(Z)-[3-(3-methoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL053034
SMILES COCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2OC)/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 C28H31N5O4S2 MW 565.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O4S2/c1-19-9-10-24-29-25(31-14-12-30(13-15-31)21-7-4-5-8-22(21)37-3)20(26(34)33(24)18-19)17-23-27(35)32(28(38)39-23)11-6-16-36-2/h4-5,7-10,17-18H,6,11-16H2,1-3H3/b23-17-InChIKey
OOJYZWJLWSIEFL-QJOMJCCJSA-NSynonyms
(5Z)5((2(4(2METHOXYPHENYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3METHOXYPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4(2methoxyphenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(3methoxypropyl)2thioxothiazolidin4one
2(4(2methoxyphenyl)piperazin1yl)3((Z)(3(3methoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
5((2(4(2METHOXYPHENYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(3METHOXYPROPYL)2THIOXO13THIAZOLIDIN4ONE
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCOC)N4CCN(CC4)C5=CC=CC=C5OC)C=C1
COCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2OC)C1=O
InChI=1SC28H31N5O4S2c119910242925(31141230(131531)21745822(21)373)20(26(34)33(24)1819)172327(35)32(28(38)3923)11616362h457101718H61116H213H3b2317
MFCD03666120
ZINC000097947686
ZINC97947686
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