Vitas-M small molecule compound

4-[(5Z)-5-{[2-(3,4-dihydroisoquinolin-2(1H)-yl)-4-oxo-4H-pyrido[1,2-a]pyrimidin-3-yl]methylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid

Catalog ID
STK905181
SMILES OC(=O)CCCN1C(=S)S/C(=C\c2c(nc3n(c2=O)cccc3)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 C25H22N4O4S2 MW 506.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O4S2/c30-21(31)9-5-12-29-24(33)19(35-25(29)34)14-18-22(26-20-8-3-4-11-28(20)23(18)32)27-13-10-16-6-1-2-7-17(16)15-27/h1-4,6-8,11,14H,5,9-10,12-13,15H2,(H,30,31)/b19-14-
InChIKey
DUXLCYFQVMMVMA-RGEXLXHISA-N
Synonyms
714228-31-6
(Z)4(5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)butanoicacid
4((5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)BUTANOICACID
4((5Z)5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)butanoicacid
714228316
C1CN(CC2=CC=CC=C21)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CCCC(=O)O
InChI=1SC25H22N4O4S2c3021(31)95122924(33)19(3525(29)34)141822(26208341128(20)23(18)32)27131016612717(16)1527h14681114H5910121315H2(H3031)b1914
MFCD05690838
OC(=O)CCCN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)C1=O
ZINC000001813207
ZINC01813207
ZINC1813207

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Available files

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