Vitas-M small molecule compound
8-amino-4-oxo-5-(thiophen-3-yl)-1,3,4,5,10,11,12,13-octahydro-2H,9H-cyclohepta[4',5']thieno[3',2':5,6]pyrimido[1,2-a]quinoline-6-carbonitrile
Catalog ID
STK675913
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1cscc1)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 C24H22N4OS2 MW 446.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4OS2/c25-11-15-19(13-9-10-30-12-13)21-16(6-4-7-17(21)29)28-23(15)27-22(26)20-14-5-2-1-3-8-18(14)31-24(20)28/h9-10,12,19H,1-8H2,(H2,26,27)InChIKey
XALSXUNPICHXGF-UHFFFAOYSA-NSynonyms
8amino4oxo5(thiophen3yl)134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
C1CCC2=C(CC1)SC3=C2C(=NC4=C(C(C5=C(N43)CCCC5=O)C6=CSC=C6)C#N)N
InChI=1SC24H22N4OS2c25111519(13910301213)2116(64717(21)29)2823(15)2722(26)20145213818(14)3124(20)28h9101219H18H2(H22627)
MFCD01821011
ZINC000000708339
ZINC000000708340
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