Vitas-M small molecule compound
4,8-dioxo-5-(pyridin-3-yl)-1,3,4,5,7,8,10,11,12,13-decahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK675495
SMILES N#CC1=c2[nH]c(=O)c3c(n2C2=C(C1c1cccnc1)C(=O)CCC2)sc1c3CCCCC1
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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 C25H22N4O2S MW 442.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H22N4O2S/c26-12-16-20(14-6-5-11-27-13-14)22-17(8-4-9-18(22)30)29-23(16)28-24(31)21-15-7-2-1-3-10-19(15)32-25(21)29/h5-6,11,13,20H,1-4,7-10H2,(H,28,31)InChIKey
FAGXSGLUEVGTJU-UHFFFAOYSA-NSynonyms
48dioxo5(pyridin3yl)13457810111213decahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CCC2=C(CC1)SC3=C2C(=O)NC4=C(C(C5=C(N43)CCCC5=O)C6=CN=CC=C6)C#N
InChI=1SC25H22N4O2Sc26121620(146511271314)2217(84918(22)30)2923(16)2824(31)211572131019(15)3225(21)29h56111320H14710H2(H2831)
MFCD01821940
N#CC1=c2(nH)c(=O)c3c(n2C2=C(C1c1cccnc1)C(=O)CCC2)sc1c3CCCCC1
ZINC000000969231
ZINC000000969232
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