Vitas-M small molecule compound
6-oxo-4-phenyl-2-{[(E)-2'H-spiro[cyclopentane-1,3'-isoquinolin]-1'(4'H)-ylidenemethyl]sulfanyl}-1,6-dihydropyrimidine-5-carbonitrile
Catalog ID
STK685150
SMILES N#Cc1c(=O)[nH]c(nc1c1ccccc1)S/C=C\1/NC2(CCCC2)Cc2c1cccc2
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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 C25H22N4OS MW 426.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4OS/c26-15-20-22(17-8-2-1-3-9-17)27-24(28-23(20)30)31-16-21-19-11-5-4-10-18(19)14-25(29-21)12-6-7-13-25/h1-5,8-11,16,29H,6-7,12-14H2,(H,27,28,30)/b21-16+InChIKey
ZVPRWMGXAJYDDS-LTGZKZEYSA-NSynonyms
4OXO6PHENYL2((E)SPIRO(24DIHYDROISOQUINOLINE31CYCLOPENTANE)1YLIDENEMETHYL)SULFANYL1HPYRIMIDINE5CARBONITRILE6oxo4phenyl2(((E)2Hspiro(cyclopentane13isoquinolin)1(4H)ylidenemethyl)sulfanyl)16dihydropyrimidine5carbonitrile
C1CCC2(C1)CC3=CC=CC=C3C(=CSC4=NC(=O)C(=C(N4)C5=CC=CC=C5)C#N)N2
N#Cc1c(=O)(nH)c(nc1c1ccccc1)SC=C1NC2(CCCC2)Cc2c1cccc2
Registry IDs
MFCD05857640ZINC000100176455
ZINC100176455
Check stock
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Check stock on Vitas-MAvailable files
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