Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-(3-hexyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-7-methyl-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK905321
SMILES CCCCCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cc(cc3)C)N2CCc3c(C2)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 C28H30N4O2S2 MW 518.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H30N4O2S2/c1-3-4-5-8-14-31-27(34)23(36-28(31)35)16-22-25(29-24-12-11-19(2)17-32(24)26(22)33)30-15-13-20-9-6-7-10-21(20)18-30/h6-7,9-12,16-17H,3-5,8,13-15,18H2,1-2H3/b23-16-InChIKey
CXMHWVFYLQPYTM-KQWNVCNZSA-NSynonyms
877645-89-1(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)7METHYL4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3HEXYL2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)5((2(34dihydroisoquinolin2(1H)yl)7methyl4oxo4Hpyrido(12a)pyrimidin3yl)methylene)3hexyl2thioxothiazolidin4one
2(34dihydroisoquinolin2(1H)yl)3((Z)(3hexyl4oxo2thioxo13thiazolidin5ylidene)methyl)7methyl4Hpyrido(12a)pyrimidin4one
877645891
CCCCCCN1C(=O)C(=CC2=C(N=C3C=CC(=CN3C2=O)C)N4CCC5=CC=CC=C5C4)SC1=S
CCCCCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cc(cc3)C)N2CCc3c(C2)cccc3)C1=O
InChI=1SC28H30N4O2S2c13458143127(34)23(3628(31)35)162225(2924121119(2)1732(24)26(22)33)301513209671021(20)1830h679121617H358131518H212H3b2316
MFCD05705155
ZINC000009346205
ZINC9346205
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.