Vitas-M small molecule compound

2-(1H-benzotriazol-1-yl)-N-[2-{[4-(dimethylamino)phenyl]amino}-2-oxo-1-(thiophen-2-yl)ethyl]-N-(4-methoxybenzyl)acetamide

Catalog ID
STL438823
SMILES COc1ccc(cc1)CN(C(c1cccs1)C(=O)Nc1ccc(cc1)N(C)C)C(=O)Cn1nnc2c1cccc2

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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 C30H30N6O3S MW 554.67 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H30N6O3S/c1-34(2)23-14-12-22(13-15-23)31-30(38)29(27-9-6-18-40-27)35(19-21-10-16-24(39-3)17-11-21)28(37)20-36-26-8-5-4-7-25(26)32-33-36/h4-18,29H,19-20H2,1-3H3,(H,31,38)
InChIKey
NOTBDWHNDMNTRH-UHFFFAOYSA-N
Synonyms

2((2(benzotriazol1yl)acetyl)((4methoxyphenyl)methyl)amino)N(4(dimethylamino)phenyl)2thiophen2ylacetamide
2((2(BENZOTRIAZOL1YL)ACETYL)((4METHOXYPHENYL)METHYL)AMINO)N(4DIMETHYLAMINOPHENYL)2THIOPHEN2YLACETAMIDE
2(1Hbenzotriazol1yl)N(2((4(dimethylamino)phenyl)amino)2oxo1(thiophen2yl)ethyl)N(4methoxybenzyl)acetamide
2(2(1HBENZO(D)(123)TRIAZOL1YL)N(4METHOXYBENZYL)ACETAMIDO)N(4(DIMETHYLAMINO)PHENYL)2(THIOPHEN2YL)ACETAMIDE
CN(C)C1=CC=C(C=C1)NC(=O)C(C2=CC=CS2)N(CC3=CC=C(C=C3)OC)C(=O)CN4C5=CC=CC=C5N=N4
InChI=1SC30H30N6O3Sc134(2)23141222(131523)3130(38)29(2796184027)35(1921101624(393)171121)28(37)203626854725(26)323336h41829H1920H213H3(H3138)
MFCD06239634
ZINC000001412459
ZINC000001412460
ZINC01412460

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Available files

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