Vitas-M small molecule compound
[4-(3-cyano-5,6,7,8-tetrahydroquinolin-2-yl)piperazin-1-yl][6-(hydroxymethyl)-1H-indol-3-yl]acetic acid
Catalog ID
STK939164
SMILES N#Cc1cc2CCCCc2nc1N1CCN(CC1)C(c1c[nH]c2c1ccc(c2)CO)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 C25H27N5O3 MW 445.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N5O3/c26-13-18-12-17-3-1-2-4-21(17)28-24(18)30-9-7-29(8-10-30)23(25(32)33)20-14-27-22-11-16(15-31)5-6-19(20)22/h5-6,11-12,14,23,27,31H,1-4,7-10,15H2,(H,32,33)InChIKey
ZWWSQBSPQQKDIO-UHFFFAOYSA-NSynonyms
1214091-53-8(4(3cyano5678tetrahydroquinolin2yl)piperazin1yl)(6(hydroxymethyl)1Hindol3yl)aceticacid
1214091538
2(4(3cyano5678tetrahydroquinolin2yl)piperazin1yl)2(6(hydroxymethyl)1Hindol3yl)aceticacid
C1CCC2=C(C1)C=C(C(=N2)N3CCN(CC3)C(C4=CNC5=C4C=CC(=C5)CO)C(=O)O)C#N
InChI=1SC25H27N5O3c2613181217312421(17)2824(18)309729(81030)23(25(32)33)201427221116(1531)5619(20)22h56111214232731H1471015H2(H3233)
MFCD13757137
N#Cc1cc2CCCCc2nc1N1CCN(CC1)C(c1c(nH)c2c1ccc(c2)CO)C(=O)O
ZINC000036357455
ZINC000036357456
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