Vitas-M small molecule compound
3-{(Z)-[3-(3-ethoxypropyl)-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(2-hydroxy-2-phenylethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL235293
SMILES CCOCCCN1C(=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 C25H26N4O4S2 MW 510.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26N4O4S2/c1-2-33-14-8-13-29-24(32)20(35-25(29)34)15-18-22(26-16-19(30)17-9-4-3-5-10-17)27-21-11-6-7-12-28(21)23(18)31/h3-7,9-12,15,19,26,30H,2,8,13-14,16H2,1H3/b20-15-InChIKey
IOYLKDPDVQOOOR-HKWRFOASSA-NSynonyms
849920-53-2(5Z)3(3ETHOXYPROPYL)5((2((2HYDROXY2PHENYLETHYL)AMINO)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3(3ethoxypropyl)5((2((2hydroxy2phenylethyl)amino)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3(3ethoxypropyl)4oxo2thioxo13thiazolidin5ylidene)methyl)2((2hydroxy2phenylethyl)amino)4Hpyrido(12a)pyrimidin4one
849920532
CCOCCCN1C(=O)C(=CC2=C(N=C3C=CC=CN3C2=O)NCC(C4=CC=CC=C4)O)SC1=S
CCOCCCN1C(=S)SC(=Cc2c(NCC(c3ccccc3)O)nc3n(c2=O)cccc3)C1=O
InChI=1SC25H26N4O4S2c1233148132924(32)20(3525(29)34)151822(261619(30)1794351017)272111671228(21)23(18)31h3791215192630H28131416H21H3b2015
MFCD05689291
ZINC000009501246
ZINC000009501252
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.