Vitas-M small molecule compound

3-[(Z)-(3-benzyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]-2-(3,4-dihydroisoquinolin-2(1H)-yl)-4H-pyrido[1,2-a]pyrimidin-4-one

Catalog ID
STK558483
SMILES S=C1S/C(=C\c2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)/C(=O)N1Cc1ccccc1

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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 C28H22N4O2S2 MW 510.64 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H22N4O2S2/c33-26-22(16-23-27(34)32(28(35)36-23)17-19-8-2-1-3-9-19)25(29-24-12-6-7-14-31(24)26)30-15-13-20-10-4-5-11-21(20)18-30/h1-12,14,16H,13,15,17-18H2/b23-16-
InChIKey
LSAATGKGSWVMHS-KQWNVCNZSA-N
Synonyms
579440-01-0
(5Z)3BENZYL5((2(34DIHYDRO1HISOQUINOLIN2YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)2SULFANYLIDENE13THIAZOLIDIN4ONE
(Z)3benzyl5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)2thioxothiazolidin4one
3((Z)(3benzyl4oxo2thioxo13thiazolidin5ylidene)methyl)2(34dihydroisoquinolin2(1H)yl)4Hpyrido(12a)pyrimidin4one
579440010
C1CN(CC2=CC=CC=C21)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CC6=CC=CC=C6
InChI=1SC28H22N4O2S2c332622(162327(34)32(28(35)3623)17198213919)25(292412671431(24)26)3015132010451121(20)1830h1121416H13151718H2b2316
MFCD04032468
S=C1SC(=Cc2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)C(=O)N1Cc1ccccc1
ZINC000002395890
ZINC2395890

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Available files

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