Vitas-M small molecule compound
2-[4-(2-methoxyphenyl)piperazin-1-yl]-7-methyl-3-{(Z)-[4-oxo-3-(prop-2-en-1-yl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL336500
SMILES C=CCN1C(=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 C27H27N5O3S2 MW 533.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N5O3S2/c1-4-11-31-26(34)22(37-27(31)36)16-19-24(28-23-10-9-18(2)17-32(23)25(19)33)30-14-12-29(13-15-30)20-7-5-6-8-21(20)35-3/h4-10,16-17H,1,11-15H2,2-3H3/b22-16-InChIKey
DUEBAYLCBKXKLA-JWGURIENSA-NSynonyms
615272-06-5(5Z)5((2(4(2METHOXYPHENYL)PIPERAZIN1YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3PROP2ENYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3allyl5((2(4(2methoxyphenyl)piperazin1yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
2(4(2methoxyphenyl)piperazin1yl)7methyl3((Z)(4oxo3(prop2en1yl)2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
5((2(4(2METHOXYPHENYL)PIPERAZINYL)7METHYL4OXO(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3PROP2ENYL2THIOXO13THIAZOLIDIN4ONE
615272065
C=CCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCN(CC2)c2ccccc2OC)C1=O
CC1=CN2C(=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CC=C)N4CCN(CC4)C5=CC=CC=C5OC)C=C1
InChI=1SC27H27N5O3S2c14113126(34)22(3727(31)36)161924(282310918(2)1732(23)25(19)33)30141229(131530)20756821(20)353h4101617H11115H223H3b2216
MFCD03666594
ZINC000100860914
ZINC100860914
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