Vitas-M small molecule compound

2-(1H-benzotriazol-1-yl)-N-benzyl-N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(3,4,5-trimethoxyphenyl)ethyl]acetamide

Catalog ID
STL446839
SMILES COc1c(OC)cc(cc1OC)C(N(C(=O)Cn1nnc2c1cccc2)Cc1ccccc1)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 C34H36N6O5 MW 608.70 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H36N6O5/c1-38(2)26-17-15-25(16-18-26)35-34(42)32(24-19-29(43-3)33(45-5)30(20-24)44-4)39(21-23-11-7-6-8-12-23)31(41)22-40-28-14-10-9-13-27(28)36-37-40/h6-20,32H,21-22H2,1-5H3,(H,35,42)
InChIKey
QTKKGYQOPQKHQY-UHFFFAOYSA-N
Synonyms

2((2(benzotriazol1yl)acetyl)benzylamino)N(4(dimethylamino)phenyl)2(345trimethoxyphenyl)acetamide
2((2(BENZOTRIAZOL1YL)ACETYL)BENZYLAMINO)N(4DIMETHYLAMINOPHENYL)2(345TRIMETHOXYPHENYL)ACETAMIDE
2(1Hbenzotriazol1yl)NbenzylN(2((4(dimethylamino)phenyl)amino)2oxo1(345trimethoxyphenyl)ethyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)NBENZYLACETAMIDO)N(4(DIMETHYLAMINO)PHENYL)2(345TRIMETHOXYPHENYL)ACETAMIDE
CN(C)C1=CC=C(C=C1)NC(=O)C(C2=CC(=C(C(=C2)OC)OC)OC)N(CC3=CC=CC=C3)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC34H36N6O5c138(2)26171525(161826)3534(42)32(241929(433)33(455)30(2024)444)39(2123117681223)31(41)224028141091327(28)363740h62032H2122H215H3(H3542)
MFCD06244447
ZINC000008695803
ZINC000008695804

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Available files

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