Vitas-M small molecule compound

3-{(2S)-1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-3-methyl-1-oxobutan-2-yl}-1,2,3-benzotriazin-4(3H)-one

Catalog ID
STK572904
SMILES CC([C@H](n1nnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C

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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 C24H27N5O4 MW 449.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H27N5O4/c1-16(2)22(29-23(30)18-5-3-4-6-19(18)25-26-29)24(31)28-11-9-27(10-12-28)14-17-7-8-20-21(13-17)33-15-32-20/h3-8,13,16,22H,9-12,14-15H2,1-2H3/t22-/m0/s1
InChIKey
FZYLSPWAWDLRHN-QFIPXVFZSA-N
Synonyms
1173686-26-4
(S)3(1(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)3methyl1oxobutan2yl)benzo(d)(123)triazin4(3H)one
1173686264
3((2S)1(4(13benzodioxol5ylmethyl)piperazin1yl)3methyl1oxobutan2yl)123benzotriazin4(3H)one
3((2S)1(4(13benzodioxol5ylmethyl)piperazin1yl)3methyl1oxobutan2yl)123benzotriazin4one
CC((C@H)(n1nnc2c(c1=O)cccc2)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)C
CC(C)C(C(=O)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3)N4C(=O)C5=CC=CC=C5N=N4
InChI=1SC24H27N5O4c116(2)22(2923(30)18534619(18)252629)24(31)2811927(101228)1417782021(1317)33153220h38131622H9121415H212H3t22m0s1
MFCD06782532
ZINC000020547978
ZINC20547978

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Available files

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