Vitas-M small molecule compound

N-(4-{[4-(benzyloxy)-3-chloro-5-methoxybenzyl]amino}benzyl)-1H-1,2,4-triazol-5-amine

Catalog ID
STK511088
SMILES COc1cc(CNc2ccc(cc2)CNc2[nH]ncn2)cc(c1OCc1ccccc1)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 C24H24ClN5O2 MW 449.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H24ClN5O2/c1-31-22-12-19(11-21(25)23(22)32-15-18-5-3-2-4-6-18)14-26-20-9-7-17(8-10-20)13-27-24-28-16-29-30-24/h2-12,16,26H,13-15H2,1H3,(H2,27,28,29,30)
InChIKey
UHPMYWRZRUUZKR-UHFFFAOYSA-N
Synonyms

COC1=C(C(=CC(=C1)CNC2=CC=C(C=C2)CNC3=NC=NN3)Cl)OCC4=CC=CC=C4
COc1cc(CNc2ccc(cc2)CNc2(nH)ncn2)cc(c1OCc1ccccc1)Cl
InChI=1SC24H24ClN5O2c131221219(1121(25)23(22)3215185324618)1426209717(81020)1327242816293024h2121626H1315H21H3(H227282930)
MFCD04153056
N((4((3CHLORO5METHOXY4PHENYLMETHOXYPHENYL)METHYLAMINO)PHENYL)METHYL)1H124TRIAZOL5AMINE
N(4((4(benzyloxy)3chloro5methoxybenzyl)amino)benzyl)1H124triazol5amine
N(4(BENZYLOXY)3CHLORO5METHOXYBENZYL)N(4((1H124TRIAZOL5YLAMINO)METHYL)PHENYL)AMINE
ZINC000008682784
ZINC08682784
ZINC8682784

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Available files

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