Vitas-M small molecule compound
9-methyl-3-{(Z)-[4-oxo-3-(3-phenylpropyl)-2-thioxo-1,3-thiazolidin-5-ylidene]methyl}-2-[(tetrahydrofuran-2-ylmethyl)amino]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STL336481
SMILES S=C1S/C(=C\c2c(NCC3CCCO3)nc3n(c2=O)cccc3C)/C(=O)N1CCCc1ccccc1
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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 C27H28N4O3S2 MW 520.68 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H28N4O3S2/c1-18-8-5-13-30-24(18)29-23(28-17-20-12-7-15-34-20)21(25(30)32)16-22-26(33)31(27(35)36-22)14-6-11-19-9-3-2-4-10-19/h2-5,8-10,13,16,20,28H,6-7,11-12,14-15,17H2,1H3/b22-16-InChIKey
IBTPEPOHINWBJA-JWGURIENSA-NSynonyms
797774-84-6(5Z)5((9METHYL4OXO2(OXOLAN2YLMETHYLAMINO)PYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(3PHENYLPROPYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((9methyl4oxo2(((tetrahydrofuran2yl)methyl)amino)4Hpyrido(12a)pyrimidin3yl)methylene)3(3phenylpropyl)2thioxothiazolidin4one
5((9METHYL4OXO2((OXOLAN2YLMETHYL)AMINO)(5HYDROPYRIDINO(12A)PYRIMIDIN3YL))METHYLENE)3(3PHENYLPROPYL)2THIOXO13THIAZOLIDIN4ONE
797774846
9methyl3((Z)(4oxo3(3phenylpropyl)2thioxo13thiazolidin5ylidene)methyl)2((tetrahydrofuran2ylmethyl)amino)4Hpyrido(12a)pyrimidin4one
CC1=CC=CN2C1=NC(=C(C2=O)C=C3C(=O)N(C(=S)S3)CCCC4=CC=CC=C4)NCC5CCCO5
InChI=1SC27H28N4O3S2c11885133024(18)2923(281720127153420)21(25(30)32)162226(33)31(27(35)3622)146111993241019h2581013162028H671112141517H21H3b2216
MFCD03666441
S=C1SC(=Cc2c(NCC3CCCO3)nc3n(c2=O)cccc3C)C(=O)N1CCCc1ccccc1
ZINC000009427309
ZINC000012343988
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