Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][1-(4-chlorophenyl)-5-methyl-1H-1,2,3-triazol-4-yl]methanone

Catalog ID
STK986413
SMILES Clc1ccc(cc1)n1nnc(c1C)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 C22H22ClN5O3 MW 439.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22ClN5O3/c1-15-21(24-25-28(15)18-5-3-17(23)4-6-18)22(29)27-10-8-26(9-11-27)13-16-2-7-19-20(12-16)31-14-30-19/h2-7,12H,8-11,13-14H2,1H3
InChIKey
FYVRGHXZFHZMKD-UHFFFAOYSA-N
Synonyms

(4(13benzodioxol5ylmethyl)piperazin1yl)(1(4chlorophenyl)5methyl1H123triazol4yl)methanone
(4(13benzodioxol5ylmethyl)piperazin1yl)(1(4chlorophenyl)5methyltriazol4yl)methanone
CC1=C(N=NN1C2=CC=C(C=C2)Cl)C(=O)N3CCN(CC3)CC4=CC5=C(C=C4)OCO5
InChI=1SC22H22ClN5O3c11521(242528(15)185317(23)4618)22(29)2710826(91127)1316271920(1216)31143019h2712H8111314H21H3
MFCD18183314
ZINC000051317487
ZINC51317487

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Available files

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