Vitas-M small molecule compound

[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl](5-ethylthiophen-2-yl)methanone

Catalog ID
STK492995
SMILES CCc1ccc(s1)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 C19H22N2O3S MW 358.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N2O3S/c1-2-15-4-6-18(25-15)19(22)21-9-7-20(8-10-21)12-14-3-5-16-17(11-14)24-13-23-16/h3-6,11H,2,7-10,12-13H2,1H3
InChIKey
ICADXVYAYIDIRO-UHFFFAOYSA-N
Synonyms

(4(13benzodioxol5ylmethyl)piperazin1yl)(5ethylthiophen2yl)methanone
4(2HBENZO(34D)13DIOXOLAN5YLMETHYL)PIPERAZINYL5ETHYL(2THIENYL)KETONE
CCC1=CC=C(S1)C(=O)N2CCN(CC2)CC3=CC4=C(C=C3)OCO4
InChI=1SC19H22N2O3Sc12154618(2515)19(22)219720(81021)1214351617(1114)24132316h3611H27101213H21H3
MFCD11841556
ZINC000016604325
ZINC16604325

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.