Vitas-M small molecule compound
2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL051676
SMILES N#CC1=C(N)N(C2=C(C1c1cccc(c1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1)[N+](=O)[O-]
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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 C25H24N4O4 MW 444.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4/c1-25(2)12-20-23(21(30)13-25)22(15-5-4-6-18(11-15)33-3)19(14-26)24(27)28(20)16-7-9-17(10-8-16)29(31)32/h4-11,22H,12-13,27H2,1-3H3InChIKey
OIJWSBFCLAHJRX-UHFFFAOYSA-NSynonyms
714246-30-72amino4(3methoxyphenyl)77dimethyl1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(3METHOXYPHENYL)77DIMETHYL1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
714246307
CC1(CC2=C(C(C(=C(N2C3=CC=C(C=C3)(N+)(=O)(O))N)C#N)C4=CC(=CC=C4)OC)C(=O)C1)C
InChI=1SC25H24N4O4c125(2)122023(21(30)1325)22(1554618(1115)333)19(1426)24(27)28(20)167917(10816)29(31)32h41122H121327H213H3
MFCD03680135
N#CC1=C(N)N(C2=C(C1c1cccc(c1)OC)C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O)
ZINC000009350489
ZINC000009428368
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