Vitas-M small molecule compound
(5-bromo-1H-indol-3-yl)[4-(3-methoxyphenyl)piperazin-1-yl]acetic acid
Catalog ID
STL232847
SMILES COc1cccc(c1)N1CCN(CC1)C(c1c[nH]c2c1cc(Br)cc2)C(=O)O
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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 C21H22BrN3O3 MW 444.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22BrN3O3/c1-28-16-4-2-3-15(12-16)24-7-9-25(10-8-24)20(21(26)27)18-13-23-19-6-5-14(22)11-17(18)19/h2-6,11-13,20,23H,7-10H2,1H3,(H,26,27)InChIKey
ZQOZRONDLAUCRW-UHFFFAOYSA-NSynonyms
1081126-00-2(5bromo1Hindol3yl)(4(3methoxyphenyl)piperazin1yl)aceticacid
1081126002
2(5bromo1Hindol3yl)2(4(3methoxyphenyl)piperazin1yl)aceticacid
COC1=CC=CC(=C1)N2CCN(CC2)C(C3=CNC4=C3C=C(C=C4)Br)C(=O)O
COc1cccc(c1)N1CCN(CC1)C(c1c(nH)c2c1cc(Br)cc2)C(=O)O
InChI=1SC21H22BrN3O3c1281642315(1216)247925(10824)20(21(26)27)181323196514(22)1117(18)19h2611132023H710H21H3(H2627)
MFCD12209776
ZINC000020744612
ZINC000020744613
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