Vitas-M small molecule compound

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

Catalog ID
STL446834
SMILES Clc1ccc(cc1)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccc(cc1)F)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 C31H28ClFN6O2 MW 571.05 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28ClFN6O2/c1-37(2)26-17-15-25(16-18-26)34-31(41)30(22-9-11-23(32)12-10-22)38(19-21-7-13-24(33)14-8-21)29(40)20-39-28-6-4-3-5-27(28)35-36-39/h3-18,30H,19-20H2,1-2H3,(H,34,41)
InChIKey
JHEYQOVFMADGRX-UHFFFAOYSA-N
Synonyms

2((2(benzotriazol1yl)acetyl)((4fluorophenyl)methyl)amino)2(4chlorophenyl)N(4(dimethylamino)phenyl)acetamide
2((2(BENZOTRIAZOL1YL)ACETYL)((4FLUOROPHENYL)METHYL)AMINO)2(4CHLOROPHENYL)N(4DIMETHYLAMINOPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)N(1(4chlorophenyl)2((4(dimethylamino)phenyl)amino)2oxoethyl)N(4fluorobenzyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(4FLUOROBENZYL)ACETAMIDO)2(4CHLOROPHENYL)N(4(DIMETHYLAMINO)PHENYL)ACETAMIDE
CN(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=C(C=C2)Cl)N(CC3=CC=C(C=C3)F)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC31H28ClFN6O2c137(2)26171525(161826)3431(41)30(2291123(32)121022)38(192171324(33)14821)29(40)203928643527(28)353639h31830H1920H212H3(H3441)
MFCD06244442
ZINC000001419021
ZINC000001419022

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Available files

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