Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{5-[(3-chlorophenyl)amino]-1H-1,2,3-triazol-4-yl}methanone
Catalog ID
STL098933
SMILES Clc1cccc(c1)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 C21H21ClN6O3 MW 440.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O3/c22-15-2-1-3-16(11-15)23-20-19(24-26-25-20)21(29)28-8-6-27(7-9-28)12-14-4-5-17-18(10-14)31-13-30-17/h1-5,10-11H,6-9,12-13H2,(H2,23,24,25,26)InChIKey
ABUFIIVSWNHGFU-UHFFFAOYSA-NSynonyms
1291870-79-5(4(13benzodioxol5ylmethyl)piperazin1yl)(5((3chlorophenyl)amino)1H123triazol4yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(5(3chloroanilino)2Htriazol4yl)methanone
1291870795
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)C4=NNN=C4NC5=CC(=CC=C5)Cl
Clc1cccc(c1)Nc1(nH)nnc1C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2
InChI=1SC21H21ClN6O3c221521316(1115)232019(24262520)21(29)288627(7928)1214451718(1014)31133017h151011H691213H2(H223242526)
MFCD18790176
ZINC000067284658
ZINC67284658
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