Vitas-M small molecule compound
[(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]acetic acid
Catalog ID
STK905174
SMILES OC(=O)CN1C(=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 C23H18N4O4S2 MW 478.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N4O4S2/c28-19(29)13-27-22(31)17(33-23(27)32)11-16-20(24-18-7-3-4-9-26(18)21(16)30)25-10-8-14-5-1-2-6-15(14)12-25/h1-7,9,11H,8,10,12-13H2,(H,28,29)/b17-11-InChIKey
SXRUKMITWWDEHM-BOPFTXTBSA-NSynonyms
714920-74-8((5Z)5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylidene)4oxo2thioxo13thiazolidin3yl)aceticacid
(Z)2(5((2(34dihydroisoquinolin2(1H)yl)4oxo4Hpyrido(12a)pyrimidin3yl)methylene)4oxo2thioxothiazolidin3yl)aceticacid
2((5Z)5((2(34DIHYDRO1HISOQUINOLIN2YL)4OXOPYRIDO(12A)PYRIMIDIN3YL)METHYLIDENE)4OXO2SULFANYLIDENE13THIAZOLIDIN3YL)ACETICACID
714920748
C1CN(CC2=CC=CC=C21)C3=C(C(=O)N4C=CC=CC4=N3)C=C5C(=O)N(C(=S)S5)CC(=O)O
InChI=1SC23H18N4O4S2c2819(29)132722(31)17(3323(27)32)111620(2418734926(18)21(16)30)2510814512615(14)1225h17911H8101213H2(H2829)b1711
MFCD05702679
OC(=O)CN1C(=S)SC(=Cc2c(nc3n(c2=O)cccc3)N2CCc3c(C2)cccc3)C1=O
ZINC000002605641
ZINC02605641
ZINC2605641
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.