Vitas-M small molecule compound

N-benzyl-1-(4-chlorophenyl)-5-(pyridin-3-yl)-1H-1,2,3-triazole-4-carboxamide

Catalog ID
STL126751
SMILES Clc1ccc(cc1)n1nnc(c1c1cccnc1)C(=O)NCc1ccccc1

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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 C21H16ClN5O MW 389.84 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16ClN5O/c22-17-8-10-18(11-9-17)27-20(16-7-4-12-23-14-16)19(25-26-27)21(28)24-13-15-5-2-1-3-6-15/h1-12,14H,13H2,(H,24,28)
InChIKey
OEUYSOQRYFPMMX-UHFFFAOYSA-N
Synonyms
1207012-99-4
1207012994
C1=CC=C(C=C1)CNC(=O)C2=C(N(N=N2)C3=CC=C(C=C3)Cl)C4=CN=CC=C4
InChI=1SC21H16ClN5Oc221781018(11917)2720(167412231416)19(252627)21(28)2413155213615h11214H13H2(H2428)
MFCD16638040
Nbenzyl1(4chlorophenyl)5(pyridin3yl)1H123triazole4carboxamide
Nbenzyl1(4chlorophenyl)5pyridin3yltriazole4carboxamide
ZINC000038487350
ZINC38487350

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Available files

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