Vitas-M small molecule compound
2-[4-(2-hydroxyethyl)piperazin-1-yl]-3-[(E)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK604395
SMILES CCCCCCCCN1C(=S)S/C(=C/c2c(nc3n(c2=O)cccc3)N2CCN(CC2)CCO)/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 C26H35N5O3S2 MW 529.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H35N5O3S2/c1-2-3-4-5-6-8-12-31-25(34)21(36-26(31)35)19-20-23(29-15-13-28(14-16-29)17-18-32)27-22-10-7-9-11-30(22)24(20)33/h7,9-11,19,32H,2-6,8,12-18H2,1H3/b21-19+InChIKey
AFHOBNFLQRBJCA-XUTLUUPISA-NSynonyms
620584-28-3(5E)5((2(4(2HYDROXYETHYL)PIPERAZIN1YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(E)5((2(4(2hydroxyethyl)piperazin1yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3octyl2thioxothiazolidin4one
2(4(2hydroxyethyl)piperazin1yl)3((E)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
620584283
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)N4CCN(CC4)CCO)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCN(CC2)CCO)C1=O
InChI=1SC26H35N5O3S2c1234568123125(34)21(3626(31)35)192023(29151328(141629)171832)272210791130(22)24(20)33h79111932H2681218H21H3b2119+
MFCD03664170
ZINC000100913885
ZINC100913885
Check stock
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Check stock on Vitas-MAvailable files
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