Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{5-[(3,4-dimethylphenyl)amino]-1H-1,2,3-triazol-4-yl}methanone
Catalog ID
STL098895
SMILES O=C(c1nn[nH]c1Nc1ccc(c(c1)C)C)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/c1-15-3-5-18(11-16(15)2)24-22-21(25-27-26-22)23(30)29-9-7-28(8-10-29)13-17-4-6-19-20(12-17)32-14-31-19/h3-6,11-12H,7-10,13-14H2,1-2H3,(H2,24,25,26,27)InChIKey
PVWOUGGZSPSXRA-UHFFFAOYSA-NSynonyms
1291848-94-6(4(13benzodioxol5ylmethyl)piperazin1yl)(5((34dimethylphenyl)amino)1H123triazol4yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(5(34dimethylanilino)2Htriazol4yl)methanone
1291848946
CC1=C(C=C(C=C1)NC2=NNN=C2C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C
InChI=1SC23H26N6O3c1153518(1116(15)2)242221(25272622)23(30)299728(81029)1317461920(1217)32143119h361112H7101314H212H3(H224252627)
MFCD18790138
O=C(c1nn(nH)c1Nc1ccc(c(c1)C)C)N1CCN(CC1)Cc1ccc2c(c1)OCO2
ZINC000067284524
ZINC67284524
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