Vitas-M small molecule compound
4-{2-[(4-methylbenzyl)sulfanyl]-4,6-dioxo-3,4,5,6,7,8,9,10-octahydropyrimido[4,5-b]quinolin-5-yl}benzonitrile
Catalog ID
STK918678
SMILES N#Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)[nH]c(n2)SCc1ccc(cc1)C
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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 C26H22N4O2S MW 454.55 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H22N4O2S/c1-15-5-7-17(8-6-15)14-33-26-29-24-23(25(32)30-26)21(18-11-9-16(13-27)10-12-18)22-19(28-24)3-2-4-20(22)31/h5-12,21H,2-4,14H2,1H3,(H2,28,29,30,32)InChIKey
OKZVEKJJEKFUDM-UHFFFAOYSA-NSynonyms
4(2((4methylbenzyl)sulfanyl)46dioxo345678910octahydropyrimido(45b)quinolin5yl)benzonitrile
4(2((4methylphenyl)methylsulfanyl)46dioxo1578910hexahydropyrimido(45b)quinolin5yl)benzonitrile
CC1=CC=C(C=C1)CSC2=NC(=O)C3=C(N2)NC4=C(C3C5=CC=C(C=C5)C#N)C(=O)CCC4
InChI=1SC26H22N4O2Sc1155717(8615)143326292423(25(32)3026)21(1811916(1327)101218)2219(2824)32420(22)31h51221H2414H21H3(H228293032)
MFCD05744621
N#Cc1ccc(cc1)C1C2=C(CCCC2=O)Nc2c1c(=O)(nH)c(n2)SCc1ccc(cc1)C
ZINC000000937255
ZINC000000937256
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