Vitas-M small molecule compound
8-amino-2,2-dimethyl-5-(4-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
STK761068
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccc(cc1)C)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/c1-16-9-11-17(12-10-16)23-19(15-30)27-32-26(31)24-18-7-5-4-6-8-22(18)35-28(24)33(27)20-13-29(2,3)14-21(34)25(20)23/h9-12,23H,4-8,13-14H2,1-3H3,(H2,31,32)InChIKey
NMYXLYANJXSMJX-UHFFFAOYSA-NSynonyms
8amino22dimethyl5(4methylphenyl)4oxo134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1=CC=C(C=C1)C2C(=C3N=C(C4=C(N3C5=C2C(=O)CC(C5)(C)C)SC6=C4CCCCC6)N)C#N
InChI=1SC29H30N4OSc11691117(121016)2319(1530)273226(31)24187546822(18)3528(24)33(27)201329(23)1421(34)25(20)23h91223H481314H213H3(H23132)
MFCD01820493
ZINC000002185972
ZINC000002185973
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