Vitas-M small molecule compound
2-amino-1-(5-bromopyridin-2-yl)-4-(2-ethoxyphenyl)-7,7-dimethyl-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173013
SMILES CCOc1ccccc1C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cn1)Br)C#N
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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 C25H25BrN4O2 MW 493.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25BrN4O2/c1-4-32-20-8-6-5-7-16(20)22-17(13-27)24(28)30(21-10-9-15(26)14-29-21)18-11-25(2,3)12-19(31)23(18)22/h5-10,14,22H,4,11-12,28H2,1-3H3InChIKey
OSCOIMVCRSPBGP-UHFFFAOYSA-NSynonyms
514856-96-32amino1(5bromopyridin2yl)4(2ethoxyphenyl)77dimethyl5oxo145678hexahydroquinoline3carbonitrile
2AMINO1(5BROMOPYRIDIN2YL)4(2ETHOXYPHENYL)77DIMETHYL5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
514856963
CCOC1=CC=CC=C1C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=NC=C(C=C4)Br)N)C#N
InChI=1SC25H25BrN4O2c143220865716(20)2217(1327)24(28)30(2110915(26)142921)181125(23)1219(31)23(18)22h5101422H4111228H213H3
MFCD03758004
ZINC000008456244
ZINC000008456245
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