Vitas-M small molecule compound
1'-tert-butyl-3-(2,5-dimethyl-1H-pyrrol-1-yl)-6a,7,8,9,10,11-hexahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-2',4',6'(1'H,3'H)-trione
Catalog ID
STK582645
SMILES O=C1NC(=O)C2(C(=O)N1C(C)(C)C)Cc1cc(ccc1N1C2CCCCC1)n1c(C)ccc1C
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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 C27H34N4O3 MW 462.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H34N4O3/c1-17-10-11-18(2)30(17)20-12-13-21-19(15-20)16-27(22-9-7-6-8-14-29(21)22)23(32)28-25(34)31(24(27)33)26(3,4)5/h10-13,15,22H,6-9,14,16H2,1-5H3,(H,28,32,34)InChIKey
COLCZDMTKRNJNS-UHFFFAOYSA-NSynonyms
879583-21-81(tertbutyl)3(25dimethyl1Hpyrrol1yl)6a7891011hexahydro1H5Hspiro(azepino(12a)quinoline65pyrimidine)246(3H)trione
1tertbutyl3(25dimethyl1Hpyrrol1yl)6a7891011hexahydro2H5Hspiro(azepino(12a)quinoline65pyrimidine)246(1H3H)trione
1tertbutyl3(25dimethylpyrrol1yl)spiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
879583218
CC1=CC=C(N1C2=CC3=C(C=C2)N4CCCCCC4C5(C3)C(=O)NC(=O)N(C5=O)C(C)(C)C)C
InChI=1SC27H34N4O3c117101118(2)30(17)2012132119(1520)1627(2297681429(21)22)23(32)2825(34)31(24(27)33)26(34)5h10131522H691416H215H3(H283234)
MFCD07638680
ZINC000009433985
ZINC000009433988
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