Vitas-M small molecule compound

2-(1H-benzotriazol-1-yl)-N-[1-(4-chlorophenyl)-2-{[4-(dimethylamino)phenyl]amino}-2-oxoethyl]-N-(2-methylbenzyl)acetamide

Catalog ID
STL446833
SMILES Clc1ccc(cc1)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1C)C(=O)Nc1ccc(cc1)N(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 C32H31ClN6O2 MW 567.09 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H31ClN6O2/c1-22-8-4-5-9-24(22)20-38(30(40)21-39-29-11-7-6-10-28(29)35-36-39)31(23-12-14-25(33)15-13-23)32(41)34-26-16-18-27(19-17-26)37(2)3/h4-19,31H,20-21H2,1-3H3,(H,34,41)
InChIKey
PLPNZEAFBUZWNG-UHFFFAOYSA-N
Synonyms

2((2(benzotriazol1yl)acetyl)((2methylphenyl)methyl)amino)2(4chlorophenyl)N(4(dimethylamino)phenyl)acetamide
2((2(BENZOTRIAZOL1YL)ACETYL)((2METHYLPHENYL)METHYL)AMINO)2(4CHLOROPHENYL)N(4DIMETHYLAMINOPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(4chlorophenyl)2((4(dimethylamino)phenyl)amino)2oxoethyl)N(2methylbenzyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(2METHYLBENZYL)ACETAMIDO)2(4CHLOROPHENYL)N(4(DIMETHYLAMINO)PHENYL)ACETAMIDE
CC1=CC=CC=C1CN(C(C2=CC=C(C=C2)Cl)C(=O)NC3=CC=C(C=C3)N(C)C)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC32H31ClN6O2c122845924(22)2038(30(40)21392911761028(29)353639)31(23121425(33)151323)32(41)3426161827(191726)37(2)3h41931H2021H213H3(H3441)
MFCD06244441
ZINC000003772076
ZINC000003772077

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Available files

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