Vitas-M small molecule compound
8-amino-2,2-dimethyl-5-(2-methylphenyl)-4-oxo-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
STK761277
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccccc1C)C(=O)CC(C2)(C)C)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 C29H30N4OS MW 482.65 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30N4OS/c1-16-9-7-8-10-17(16)23-19(15-30)27-32-26(31)24-18-11-5-4-6-12-22(18)35-28(24)33(27)20-13-29(2,3)14-21(34)25(20)23/h7-10,23H,4-6,11-14H2,1-3H3,(H2,31,32)InChIKey
GSLCULXPGCZSDY-UHFFFAOYSA-NSynonyms
8amino22dimethyl5(2methylphenyl)4oxo134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1=CC=CC=C1C2C(=C3N=C(C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)N)C#N
InChI=1SC29H30N4OSc1169781017(16)2319(1530)273226(31)2418115461222(18)3528(24)33(27)201329(23)1421(34)25(20)23h71023H461114H213H3(H23132)
MFCD01820945
ZINC000002185970
ZINC000002185971
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