Vitas-M small molecule compound
2-[(2-hydroxy-2-phenylethyl)amino]-3-[(Z)-(3-octyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK555905
SMILES CCCCCCCCN1C(=S)S/C(=C\c2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)/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 C28H32N4O3S2 MW 536.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H32N4O3S2/c1-2-3-4-5-6-11-17-32-27(35)23(37-28(32)36)18-21-25(29-19-22(33)20-13-8-7-9-14-20)30-24-15-10-12-16-31(24)26(21)34/h7-10,12-16,18,22,29,33H,2-6,11,17,19H2,1H3/b23-18-InChIKey
BYZNPWUIXQUXHT-NKFKGCMQSA-NSynonyms
843620-54-2(5Z)5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3OCTYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3octyl2thioxothiazolidin4one
2((2hydroxy2phenylethyl)amino)3((Z)(3octyl4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
843620542
CCCCCCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC(C4=CC=CC=C4)O)SC1=S
CCCCCCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
InChI=1SC28H32N4O3S2c12345611173227(35)23(3728(32)36)182125(291922(33)20138791420)30241510121631(24)26(21)34h710121618222933H26111719H21H3b2318
MFCD04014461
ZINC000101042147
ZINC000101042150
Check stock
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Check stock on Vitas-MAvailable files
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