Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][2-(5-ethylthiophen-2-yl)quinolin-4-yl]methanone
Catalog ID
STK461270
SMILES CCc1ccc(s1)c1nc2ccccc2c(c1)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 C28H27N3O3S MW 485.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H27N3O3S/c1-2-20-8-10-27(35-20)24-16-22(21-5-3-4-6-23(21)29-24)28(32)31-13-11-30(12-14-31)17-19-7-9-25-26(15-19)34-18-33-25/h3-10,15-16H,2,11-14,17-18H2,1H3InChIKey
DAEKQISUAYXCPA-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(2(5ethylthiophen2yl)quinolin4yl)methanone
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL2(5ETHYL(2THIENYL))(4QUINOLYL)KETONE
CCC1=CC=C(S1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC28H27N3O3Sc122081027(3520)241622(21534623(21)2924)28(32)31131130(121431)1719792526(1519)34183325h3101516H211141718H21H3
MFCD05999606
ZINC000016392329
ZINC16392329
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