Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(3,4-dimethylphenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methanone
Catalog ID
STK986437
SMILES O=C(c1nnn(c1C)c1ccc(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 C24H27N5O3 MW 433.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O3/c1-16-4-6-20(12-17(16)2)29-18(3)23(25-26-29)24(30)28-10-8-27(9-11-28)14-19-5-7-21-22(13-19)32-15-31-21/h4-7,12-13H,8-11,14-15H2,1-3H3InChIKey
WYNZJUMETUFNIH-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(1(34dimethylphenyl)5methyl1H123triazol4yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(1(34dimethylphenyl)5methyltriazol4yl)methanone
CC1=C(C=C(C=C1)N2C(=C(N=N2)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5)C)C
InChI=1SC24H27N5O3c1164620(1217(16)2)2918(3)23(252629)24(30)2810827(91128)1419572122(1319)32153121h471213H8111415H213H3
MFCD18183335
ZINC000051317530
ZINC51317530
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