Vitas-M small molecule compound

ethyl {2-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-1,1,1,3,3,3-hexafluoropropan-2-yl}carbamate

Catalog ID
STK530623
SMILES CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)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 C18H21F6N3O4 MW 457.37 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H21F6N3O4/c1-2-29-15(28)25-16(17(19,20)21,18(22,23)24)27-7-5-26(6-8-27)10-12-3-4-13-14(9-12)31-11-30-13/h3-4,9H,2,5-8,10-11H2,1H3,(H,25,28)
InChIKey
DKDXHTDLDYUWDC-UHFFFAOYSA-N
Synonyms

CCOC(=O)NC(C(F)(F)F)(C(F)(F)F)N1CCN(CC1)CC2=CC3=C(C=C2)OCO3
ethyl(2(4(13benzodioxol5ylmethyl)piperazin1yl)111333hexafluoropropan2yl)carbamate
ethyl(2(4(benzo(d)(13)dioxol5ylmethyl)piperazin1yl)111333hexafluoropropan2yl)carbamate
ethylN(2(4(13benzodioxol5ylmethyl)piperazin1yl)111333hexafluoropropan2yl)carbamate
InChI=1SC18H21F6N3O4c122915(28)2516(17(1920)2118(2223)24)277526(6827)1012341314(912)31113013h349H2581011H21H3(H2528)
MFCD01085003
ZINC000019940168
ZINC19940168

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Available files

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