Vitas-M small molecule compound
1'-tert-butyl-2'-hydroxy-6a,7,8,9,10,11-hexahydro-4'H,5H-spiro[azepino[1,2-a]quinoline-6,5'-pyrimidine]-4',6'(1'H)-dione
Catalog ID
STK635887
SMILES OC1=NC(=O)C2(C(=O)N1C(C)(C)C)Cc1ccccc1N1C2CCCCC1
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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 C21H27N3O3 MW 369.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H27N3O3/c1-20(2,3)24-18(26)21(17(25)22-19(24)27)13-14-9-6-7-10-15(14)23-12-8-4-5-11-16(21)23/h6-7,9-10,16H,4-5,8,11-13H2,1-3H3,(H,22,25,27)InChIKey
CUJBDRAPAZXPSI-UHFFFAOYSA-NSynonyms
1tertbutyl2hydroxy6a7891011hexahydro4H5Hspiro(azepino(12a)quinoline65pyrimidine)46(1H)dione
1tertbutylspiro(13diazinane566a7891011hexahydro5Hazepino(12a)quinoline)246trione
CC(C)(C)N1C(=O)C2(CC3=CC=CC=C3N4C2CCCCC4)C(=O)NC1=O
InChI=1SC21H27N3O3c120(23)2418(26)21(17(25)2219(24)27)13149671015(14)23128451116(21)23h6791016H4581113H213H3(H222527)
MFCD18160882
ZINC000013693476
ZINC000230031807
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