Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{5-[(4-ethylphenyl)amino]-1H-1,2,3-triazol-4-yl}methanone
Catalog ID
STL098778
SMILES CCc1ccc(cc1)Nc1[nH]nnc1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
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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 C23H26N6O3 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H26N6O3/c1-2-16-3-6-18(7-4-16)24-22-21(25-27-26-22)23(30)29-11-9-28(10-12-29)14-17-5-8-19-20(13-17)32-15-31-19/h3-8,13H,2,9-12,14-15H2,1H3,(H2,24,25,26,27)InChIKey
YRMMJIYIPNRRCJ-UHFFFAOYSA-NSynonyms
1291854-07-3(4(13benzodioxol5ylmethyl)piperazin1yl)(5((4ethylphenyl)amino)1H123triazol4yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(5(4ethylanilino)2Htriazol4yl)methanone
1291854073
CCC1=CC=C(C=C1)NC2=NNN=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
CCc1ccc(cc1)Nc1(nH)nnc1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC23H26N6O3c12163618(7416)242221(25272622)23(30)2911928(101229)1417581920(1317)32153119h3813H29121415H21H3(H224252627)
MFCD18790021
ZINC000067284181
ZINC67284181
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