Vitas-M small molecule compound
[4-(1,3-benzodioxol-5-ylmethyl)piperazin-1-yl][6-bromo-2-(4-ethylphenyl)quinolin-4-yl]methanone
Catalog ID
STK425432
SMILES CCc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)N1CCN(CC1)Cc1ccc2c(c1)OCO2)Br
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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 C30H28BrN3O3 MW 558.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H28BrN3O3/c1-2-20-3-6-22(7-4-20)27-17-25(24-16-23(31)8-9-26(24)32-27)30(35)34-13-11-33(12-14-34)18-21-5-10-28-29(15-21)37-19-36-28/h3-10,15-17H,2,11-14,18-19H2,1H3InChIKey
LRRCFRQTPTULSQ-UHFFFAOYSA-NSynonyms
(4(13benzodioxol5ylmethyl)piperazin1yl)(6bromo2(4ethylphenyl)quinolin4yl)methanone
4((4(13BENZODIOXOL5YLMETHYL)1PIPERAZINYL)CARBONYL)6BROMO2(4ETHYLPHENYL)QUINOLINE
4(2HBENZO(34D)13DIOXOLEN5YLMETHYL)PIPERAZINYL6BROMO2(4ETHYLPHENYL)(4QUINOLYL)KETONE
CCC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)N4CCN(CC4)CC5=CC6=C(C=C5)OCO6
InChI=1SC30H28BrN3O3c12203622(7420)271725(241623(31)8926(24)3227)30(35)34131133(121434)18215102829(1521)37193628h3101517H211141819H21H3
MFCD02375379
ZINC000097948219
ZINC97948219
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