Vitas-M small molecule compound
1-[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]-2-(isoquinolin-1-ylsulfanyl)ethanone
Catalog ID
STK508326
SMILES O=C(N1CCN(CC1)Cc1ccc2c(c1)OCO2)CSc1nccc2c1cccc2
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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 C23H23N3O3S MW 421.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O3S/c27-22(15-30-23-19-4-2-1-3-18(19)7-8-24-23)26-11-9-25(10-12-26)14-17-5-6-20-21(13-17)29-16-28-20/h1-8,13H,9-12,14-16H2InChIKey
SEHFULYKAFGFEV-UHFFFAOYSA-NSynonyms
1((2(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2OXOETHYL)THIO)ISOQUINOLINE
1(4(13benzodioxol5ylmethyl)piperazin1yl)2(isoquinolin1ylsulfanyl)ethanone
1(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)2ISOQUINOLIN1YLSULFANYLETHANONE
1(4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL)2ISOQUINOLYLTHIOETHAN1ONE
C1CN(CCN1CC2=CC3=C(C=C2)OCO3)C(=O)CSC4=NC=CC5=CC=CC=C54
InChI=1SC23H23N3O3Sc2722(15302319421318(19)782423)2611925(101226)1417562021(1317)29162820h1813H9121416H2
MFCD04001019
ZINC000019681454
ZINC19681454
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