Vitas-M small molecule compound
N-(1-butanoyl-2-methyl-1,2,3,4-tetrahydroquinolin-4-yl)-3-nitro-N-phenylbenzamide
Catalog ID
STK870822
SMILES CCCC(=O)N1C(C)CC(c2c1cccc2)N(C(=O)c1cccc(c1)[N+](=O)[O-])c1ccccc1
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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 C27H27N3O4 MW 457.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H27N3O4/c1-3-10-26(31)28-19(2)17-25(23-15-7-8-16-24(23)28)29(21-12-5-4-6-13-21)27(32)20-11-9-14-22(18-20)30(33)34/h4-9,11-16,18-19,25H,3,10,17H2,1-2H3InChIKey
WNHAILDUNVAQMH-UHFFFAOYSA-NSynonyms
307340-05-2307340052
CCCC(=O)N1C(C)CC(c2c1cccc2)N(C(=O)c1cccc(c1)(N+)(=O)(O))c1ccccc1
CCCC(=O)N1C(CC(C2=CC=CC=C21)N(C3=CC=CC=C3)C(=O)C4=CC(=CC=C4)(N+)(=O)(O))C
InChI=1SC27H27N3O4c131026(31)2819(2)1725(2315781624(23)28)29(21125461321)27(32)201191422(1820)30(33)34h491116181925H31017H212H3
MFCD00658065
N(1butanoyl2methyl1234tetrahydroquinolin4yl)3nitroNphenylbenzamide
N(1BUTANOYL2METHYL34DIHYDRO2HQUINOLIN4YL)3NITRONPHENYLBENZAMIDE
N(1butyryl2methyl1234tetrahydroquinolin4yl)3nitroNphenylbenzamide
ZINC000000725264
ZINC000000725267
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