Vitas-M small molecule compound
{3,5-bis[(4-chlorobenzyl)amino]-1H-1,2,4-triazol-1-yl}(2-nitrophenyl)methanone
Catalog ID
STK178900
SMILES Clc1ccc(cc1)CNc1nc(n(n1)C(=O)c1ccccc1[N+](=O)[O-])NCc1ccc(cc1)Cl
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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/c24-17-9-5-15(6-10-17)13-26-22-28-23(27-14-16-7-11-18(25)12-8-16)30(29-22)21(32)19-3-1-2-4-20(19)31(33)34/h1-12H,13-14H2,(H2,26,27,28,29)InChIKey
CTDAXJOSZVXNHX-UHFFFAOYSA-NSynonyms
(35BIS((4CHLOROBENZYL)AMINO)1H124TRIAZOL1YL)(2NITROPHENYL)METHANONE
(35bis((4chlorophenyl)methylamino)124triazol1yl)(2nitrophenyl)methanone
C1=CC=C(C(=C1)C(=O)N2C(=NC(=N2)NCC3=CC=C(C=C3)Cl)NCC4=CC=C(C=C4)Cl)(N+)(=O)(O)
Clc1ccc(cc1)CNc1nc(n(n1)C(=O)c1ccccc1(N+)(=O)(O))NCc1ccc(cc1)Cl
InChI=1SC23H18Cl2N6O3c24179515(61017)1326222823(27141671118(25)12816)30(2922)21(32)19312420(19)31(33)34h112H1314H2(H226272829)
MFCD06663970
ZINC000009948559
ZINC09948559
ZINC9948559
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