Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl]{2-[4-(propan-2-yl)phenyl]quinolin-4-yl}methanone
Catalog ID
STK426081
SMILES O=C(c1cc(nc2c1cccc2)c1ccc(cc1)C(C)C)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 C31H31N3O3 MW 493.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H31N3O3/c1-21(2)23-8-10-24(11-9-23)28-18-26(25-5-3-4-6-27(25)32-28)31(35)34-15-13-33(14-16-34)19-22-7-12-29-30(17-22)37-20-36-29/h3-12,17-18,21H,13-16,19-20H2,1-2H3InChIKey
QIBVGPLAFKURJH-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(2(4(propan2yl)phenyl)quinolin4yl)methanone
(4(13BENZODIOXOL5YLMETHYL)PIPERAZIN1YL)(2(4PROPAN2YLPHENYL)QUINOLIN4YL)METHANONE
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL2(4(METHYLETHYL)PHENYL)(4QUINOLYL)KETONE
CC(C)C1=CC=C(C=C1)C2=NC3=CC=CC=C3C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC31H31N3O3c121(2)2381024(11923)281826(25534627(25)3228)31(35)34151333(141634)19227122930(1722)37203629h312171821H13161920H212H3
MFCD02608379
ZINC000016226197
ZINC16226197
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