Vitas-M small molecule compound

8-amino-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
STK761295
SMILES N#CC1=c2nc(N)c3c(n2C2=C(C1c1ccccc1C)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 C27H26N4OS MW 454.60 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H26N4OS/c1-15-8-5-6-9-16(15)22-18(14-28)26-30-25(29)23-17-10-3-2-4-13-21(17)33-27(23)31(26)19-11-7-12-20(32)24(19)22/h5-6,8-9,22H,2-4,7,10-13H2,1H3,(H2,29,30)
InChIKey
SRVDHFMQZSLUEH-UHFFFAOYSA-N
Synonyms

8amino5(2methylphenyl)4oxo134510111213octahydro2H9Hcyclohepta(45)thieno(3256)pyrimido(12a)quinoline6carbonitrile
CC1=CC=CC=C1C2C(=C3N=C(C4=C(N3C5=C2C(=O)CCC5)SC6=C4CCCCC6)N)C#N
InChI=1SC27H26N4OSc115856916(15)2218(1428)263025(29)2317103241321(17)3327(23)31(26)191171220(32)24(19)22h568922H2471013H21H3(H22930)
MFCD01821007
ZINC000000708320
ZINC000000708321

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Available files

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