Vitas-M small molecule compound
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(2-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STL173020
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccccc1[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 C26H26N4O4 MW 458.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26N4O4/c1-4-34-17-11-9-16(10-12-17)23-18(15-27)25(28)29(19-7-5-6-8-20(19)30(32)33)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,28H2,1-3H3InChIKey
ZTKUVQUCOPWUTN-UHFFFAOYSA-NSynonyms
514816-57-02amino4(4ethoxyphenyl)77dimethyl1(2nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4ETHOXYPHENYL)77DIMETHYL1(2NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
514816570
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=CC=C4(N+)(=O)(O))N)C#N
CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccccc1(N+)(=O)(O))C#N
InChI=1SC26H26N4O4c14341711916(101217)2318(1527)25(28)29(19756820(19)30(32)33)211326(23)1422(31)24(21)23h51223H4131428H213H3
MFCD03757405
ZINC000008455909
ZINC000008455910
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