Vitas-M small molecule compound
2-amino-4-(4-ethoxyphenyl)-7,7-dimethyl-1-(4-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carbonitrile
Catalog ID
STK755540
SMILES CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)[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/c1-4-34-19-11-5-16(6-12-19)23-20(15-27)25(28)29(17-7-9-18(10-8-17)30(32)33)21-13-26(2,3)14-22(31)24(21)23/h5-12,23H,4,13-14,28H2,1-3H3InChIKey
LZUUGCOLINBEHE-UHFFFAOYSA-NSynonyms
311765-09-02amino4(4ethoxyphenyl)77dimethyl1(4nitrophenyl)5oxo145678hexahydroquinoline3carbonitrile
2AMINO4(4ETHOXYPHENYL)77DIMETHYL1(4NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBONITRILE
311765090
CCOC1=CC=C(C=C1)C2C(=C(N(C3=C2C(=O)CC(C3)(C)C)C4=CC=C(C=C4)(N+)(=O)(O))N)C#N
CCOc1ccc(cc1)C1C(=C(N)N(C2=C1C(=O)CC(C2)(C)C)c1ccc(cc1)(N+)(=O)(O))C#N
InChI=1SC26H26N4O4c14341911516(61219)2320(1527)25(28)29(177918(10817)30(32)33)211326(23)1422(31)24(21)23h51223H4131428H213H3
MFCD00828382
ZINC000008405011
ZINC000008405014
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