Vitas-M small molecule compound
{3,5-bis[(3-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(3-nitrophenyl)methanone
Catalog ID
STK169815
SMILES Clc1cccc(c1)CNc1nn(c(n1)NCc1cccc(c1)Cl)C(=O)c1cccc(c1)[N+](=O)[O-]
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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 C23H18Cl2N6O3 MW 497.34 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18Cl2N6O3/c24-18-7-1-4-15(10-18)13-26-22-28-23(27-14-16-5-2-8-19(25)11-16)30(29-22)21(32)17-6-3-9-20(12-17)31(33)34/h1-12H,13-14H2,(H2,26,27,28,29)InChIKey
QBDWYDMABWJIJD-UHFFFAOYSA-NSynonyms
(35BIS((3CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)(3NITROPHENYL)METHANONE
(35bis((3chlorophenyl)methylamino)124triazol1yl)(3nitrophenyl)methanone
C1=CC(=CC(=C1)Cl)CNC2=NN(C(=N2)NCC3=CC(=CC=C3)Cl)C(=O)C4=CC(=CC=C4)(N+)(=O)(O)
Clc1cccc(c1)CNc1nn(c(n1)NCc1cccc(c1)Cl)C(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC23H18Cl2N6O3c241871415(1018)1326222823(27141652819(25)1116)30(2922)21(32)1763920(1217)31(33)34h112H1314H2(H226272829)
MFCD06663348
ZINC000009847094
ZINC09847094
ZINC9847094
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