Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(3,5-dimethylphenyl)-1H-1,2,3-triazol-4-yl]methanone
Catalog ID
STL142185
SMILES Cc1cc(C)cc(c1)n1nnc(c1)C(=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 C23H25N5O3 MW 419.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H25N5O3/c1-16-9-17(2)11-19(10-16)28-14-20(24-25-28)23(29)27-7-5-26(6-8-27)13-18-3-4-21-22(12-18)31-15-30-21/h3-4,9-12,14H,5-8,13,15H2,1-2H3InChIKey
VCASEUVEQYUTQO-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(1(35dimethylphenyl)1H123triazol4yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(1(35dimethylphenyl)triazol4yl)methanone
CC1=CC(=CC(=C1)N2C=C(N=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C
InChI=1SC23H25N5O3c116917(2)1119(1016)281420(242528)23(29)277526(6827)1318342122(1218)31153021h3491214H581315H212H3
MFCD20740462
ZINC000071326458
ZINC71326458
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