Vitas-M small molecule compound
2,2,4-trimethyl-1-[(4-nitrophenyl)carbonyl]-1,2,3,4-tetrahydroquinolin-6-yl 4-nitrobenzoate
Catalog ID
STK028857
SMILES O=C(c1ccc(cc1)[N+](=O)[O-])Oc1ccc2c(c1)C(C)CC(N2C(=O)c1ccc(cc1)[N+](=O)[O-])(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 C26H23N3O7 MW 489.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H23N3O7/c1-16-15-26(2,3)27(24(30)17-4-8-19(9-5-17)28(32)33)23-13-12-21(14-22(16)23)36-25(31)18-6-10-20(11-7-18)29(34)35/h4-14,16H,15H2,1-3H3InChIKey
KJWYJIJFOGDKJN-UHFFFAOYSA-NSynonyms
(224TRIMETHYL1(4NITROBENZOYL)34DIHYDROQUINOLIN6YL)4NITROBENZOATE
224trimethyl1((4nitrophenyl)carbonyl)1234tetrahydroquinolin6yl4nitrobenzoate
224trimethyl1(4nitrobenzoyl)1234tetrahydroquinolin6yl4nitrobenzoate
CC1CC(N(C2=C1C=C(C=C2)OC(=O)C3=CC=C(C=C3)(N+)(=O)(O))C(=O)C4=CC=C(C=C4)(N+)(=O)(O))(C)C
InChI=1SC26H23N3O7c1161526(23)27(24(30)174819(9517)28(32)33)23131221(1422(16)23)3625(31)1861020(11718)29(34)35h41416H15H213H3
MFCD02233934
O=C(c1ccc(cc1)(N+)(=O)(O))Oc1ccc2c(c1)C(C)CC(N2C(=O)c1ccc(cc1)(N+)(=O)(O))(C)C
STK028857
ZINC000009041938
ZINC000009041941
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