Vitas-M small molecule compound
N-(1'-tert-butyl-2',4',6'-trioxo-1',3',4',6',6a,7,8,9,10,11-decahydro-2'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidin]-3-yl)-4-fluorobenzamide
Catalog ID
STK580748
SMILES Fc1ccc(cc1)C(=O)Nc1ccc2c(c1)CC1(C3N2CCCCC3)C(=O)NC(=O)N(C1=O)C(C)(C)C
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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 C28H31FN4O4 MW 506.58 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31FN4O4/c1-27(2,3)33-25(36)28(24(35)31-26(33)37)16-18-15-20(30-23(34)17-8-10-19(29)11-9-17)12-13-21(18)32-14-6-4-5-7-22(28)32/h8-13,15,22H,4-7,14,16H2,1-3H3,(H,30,34)(H,31,35,37)InChIKey
SWZJGPKICBNJFC-UHFFFAOYSA-NSynonyms
879583-98-9879583989
CC(C)(C)N1C(=O)C2(CC3=C(C=CC(=C3)NC(=O)C4=CC=C(C=C4)F)N5C2CCCCC5)C(=O)NC1=O
InChI=1SC28H31FN4O4c127(23)3325(36)28(24(35)3126(33)37)16181520(3023(34)1781019(29)11917)121321(18)3214645722(28)32h8131522H471416H213H3(H3034)(H313537)
MFCD07638286
N(1(tertbutyl)246trioxo2346a67891011decahydro1H5Hspiro(azepino(12a)quinoline65pyrimidin)3yl)4fluorobenzamide
N(1tertbutyl246trioxo13466a7891011decahydro2H5Hspiro(azepino(12a)quinoline65pyrimidin)3yl)4fluorobenzamide
N(1tertbutyl246trioxospiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)3yl)4fluorobenzamide
ZINC000009433938
ZINC000102787098
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