Vitas-M small molecule compound
2-(3,4-dihydroisoquinolin-2(1H)-yl)-3-[(Z)-{3-[2-(3,4-dimethoxyphenyl)ethyl]-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene}methyl]-4H-pyrido[1,2-a]pyrimidin-4-one
Catalog ID
STK800832
SMILES COc1cc(CCN2C(=S)S/C(=C\c3c(nc4n(c3=O)cccc4)N3CCc4c(C3)cccc4)/C2=O)ccc1OC
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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 C31H28N4O4S2 MW 584.72 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N4O4S2/c1-38-24-11-10-20(17-25(24)39-2)12-16-35-30(37)26(41-31(35)40)18-23-28(32-27-9-5-6-14-34(27)29(23)36)33-15-13-21-7-3-4-8-22(21)19-33/h3-11,14,17-18H,12-13,15-16,19H2,1-2H3/b26-18-InChIKey
PNNQCZORTLMSHR-ITYLOYPMSA-NSynonyms
(5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)3(2(34DIMETHOXYPHENYL)ETHYL)2SULFANYLIDENE13THIAZOLIDIN4ONE
2(34dihydroisoquinolin2(1H)yl)3((Z)(3(2(34dimethoxyphenyl)ethyl)4oxo2thioxo13thiazolidin5ylidene)methyl)4Hpyrido(12a)pyrimidin4one
COC1=C(C=C(C=C1)CCN2C(=O)C(=CC3=C(N=C4C=CC=CN4C3=O)N5CCC6=CC=CC=C6C5)SC2=S)OC
COc1cc(CCN2C(=S)SC(=Cc3c(nc4n(c3=O)cccc4)N3CCc4c(C3)cccc4)C2=O)ccc1OC
InChI=1SC31H28N4O4S2c13824111020(1725(24)392)12163530(37)26(4131(35)40)182328(32279561434(27)29(23)36)33151321734822(21)1933h311141718H1213151619H212H3b2618
MFCD06642944
ZINC000001103839
ZINC1103839
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