Vitas-M small molecule compound

4-chloro-N-[3-({[(4-chloro-2-nitrophenyl)carbonyl]amino}methyl)-3,5,5-trimethylcyclohexyl]-2-nitrobenzamide

Catalog ID
STK419837
SMILES Clc1ccc(c(c1)[N+](=O)[O-])C(=O)NCC1(C)CC(NC(=O)c2ccc(cc2[N+](=O)[O-])Cl)CC(C1)(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 C24H26Cl2N4O6 MW 537.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H26Cl2N4O6/c1-23(2)10-16(28-22(32)18-7-5-15(26)9-20(18)30(35)36)11-24(3,12-23)13-27-21(31)17-6-4-14(25)8-19(17)29(33)34/h4-9,16H,10-13H2,1-3H3,(H,27,31)(H,28,32)
InChIKey
HSHUTCIVSWXNTR-UHFFFAOYSA-N
Synonyms
438528-71-3
438528713
4CHLORON((5((4CHLORO2NITROBENZOYL)AMINO)133TRIMETHYLCYCLOHEXYL)METHYL)2NITROBENZAMIDE
4chloroN(3((((4chloro2nitrophenyl)carbonyl)amino)methyl)355trimethylcyclohexyl)2nitrobenzamide
4CHLORON(3(((4CHLORO2NITROBENZOYL)AMINO)METHYL)355TRIMETHYLCYCLOHEXYL)2NITROBENZAMIDE
CC1(CC(CC(C1)(C)CNC(=O)C2=C(C=C(C=C2)Cl)(N+)(=O)(O))NC(=O)C3=C(C=C(C=C3)Cl)(N+)(=O)(O))C
Clc1ccc(c(c1)(N+)(=O)(O))C(=O)NCC1(C)CC(NC(=O)c2ccc(cc2(N+)(=O)(O))Cl)CC(C1)(C)C
InChI=1SC24H26Cl2N4O6c123(2)1016(2822(32)187515(26)920(18)30(35)36)1124(31223)132721(31)176414(25)819(17)29(33)34h4916H1013H213H3(H2731)(H2832)
MFCD02055204
ZINC000008444507
ZINC000008444510

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.