Vitas-M small molecule compound
ethyl 2-amino-4-(4-chlorophenyl)-7,7-dimethyl-1-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxylate
Catalog ID
STK673218
SMILES CCOC(=O)C1=C(N)N(c2cccc(c2)[N+](=O)[O-])C2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
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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 C26H26ClN3O5 MW 495.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClN3O5/c1-4-35-25(32)23-21(15-8-10-16(27)11-9-15)22-19(13-26(2,3)14-20(22)31)29(24(23)28)17-6-5-7-18(12-17)30(33)34/h5-12,21H,4,13-14,28H2,1-3H3InChIKey
YBVJAZVNGQMVBN-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=C(C1C3=CC=C(C=C3)Cl)C(=O)CC(C2)(C)C)C4=CC(=CC=C4)(N+)(=O)(O))N
CCOC(=O)C1=C(N)N(c2cccc(c2)(N+)(=O)(O))C2=C(C1c1ccc(cc1)Cl)C(=O)CC(C2)(C)C
ethyl2amino4(4chlorophenyl)77dimethyl1(3nitrophenyl)5oxo145678hexahydroquinoline3carboxylate
ETHYL2AMINO4(4CHLOROPHENYL)77DIMETHYL1(3NITROPHENYL)5OXO68DIHYDRO4HQUINOLINE3CARBOXYLATE
InChI=1SC26H26ClN3O5c143525(32)2321(1581016(27)11915)2219(1326(23)1420(22)31)29(24(23)28)1765718(1217)30(33)34h51221H4131428H213H3
MFCD01113492
ZINC000008405507
ZINC000008405512
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