Vitas-M small molecule compound
2-amino-4-(3-methoxyphenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL040990
SMILES COc1cccc(c1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)[N+](=O)[O-])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 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(15-6-4-9-18(10-15)33-3)19(14-26)24(27)28(20)16-7-5-8-17(11-16)29(31)32/h4-11,22H,12-13,27H2,1-3H3InChIKey
GMHKOEAOPCPRAL-UHFFFAOYSA-NSynonyms
714932-58-82amino4(3methoxyphenyl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(3METHOXYPHENYL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
714932588
CC1(CC2=C(C(C(=C(N2C3=CC(=CC=C3)(N+)(=O)(O))N)C#N)C4=CC(=CC=C4)OC)C(=O)C1)C
COc1cccc(c1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1cccc(c1)(N+)(=O)(O))C#N
InChI=1SC25H24N4O4c125(2)122023(21(30)1325)22(1564918(1015)333)19(1426)24(27)28(20)1675817(1116)29(31)32h41122H121327H213H3
MFCD03679401
ZINC000009411245
ZINC000009411246
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