Vitas-M small molecule compound
2-(4-ethylpiperazin-1-yl)-7-methyl-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL336054
SMILES CCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1/C=C/1\SC(=S)N(C1=O)CCCc1ccccc1)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 C28H31N5O2S2 MW 533.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N5O2S2/c1-3-30-14-16-31(17-15-30)25-22(26(34)33-19-20(2)11-12-24(33)29-25)18-23-27(35)32(28(36)37-23)13-7-10-21-8-5-4-6-9-21/h4-6,8-9,11-12,18-19H,3,7,10,13-17H2,1-2H3/b23-18-InChIKey
XFXGPLIBOQAXDB-NKFKGCMQSA-NSynonyms
797016-09-2(5Z)5((2(4ETHYLPIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3PHENYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(4ethylpiperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3(3phenylpropyl)2thioxothiazolidin4one
2(4ethylpiperazin1yl)7methyl3((Z)(4oxo3(3phenylpropyl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2(4ETHYLPIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(3PHENYLPROPYL)2THIOXO13THIAZOLIDIN4ONE
797016092
CCN1CCN(CC1)c1nc2ccc(cn2c(=O)c1C=C1SC(=S)N(C1=O)CCCc1ccccc1)C
CCN1CCN(CC1)C2=C(C(=O)N3C=C(C=CC3=N2)C)C=C4C(=O)N(C(=S)S4)CCCC5=CC=CC=C5
InChI=1SC28H31N5O2S2c1330141631(171530)2522(26(34)331920(2)111224(33)2925)182327(35)32(28(36)3723)13710218546921h468911121819H37101317H212H3b2318
MFCD03662841
ZINC000100909446
ZINC100909446
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