Vitas-M small molecule compound
3-{[4-(5-bromopyrimidin-2-yl)piperazin-1-yl](carboxy)methyl}-1-methyl-1H-indole-5-carboxylic acid
Catalog ID
STK942747
SMILES OC(=O)C(c1cn(c2c1cc(cc2)C(=O)O)C)N1CCN(CC1)c1ncc(cn1)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 C20H20BrN5O4 MW 474.31 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrN5O4/c1-24-11-15(14-8-12(18(27)28)2-3-16(14)24)17(19(29)30)25-4-6-26(7-5-25)20-22-9-13(21)10-23-20/h2-3,8-11,17H,4-7H2,1H3,(H,27,28)(H,29,30)InChIKey
TWQHQHHNNKPQHB-UHFFFAOYSA-NSynonyms
1214020-61-71214020617
3((4(5bromopyrimidin2yl)piperazin1yl)(carboxy)methyl)1methyl1Hindole5carboxylicacid
3((4(5bromopyrimidin2yl)piperazin1yl)carboxymethyl)1methylindole5carboxylicacid
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NC=C(C=N4)Br
InChI=1SC20H20BrN5O4c1241115(14812(18(27)28)2316(14)24)17(19(29)30)254626(7525)2022913(21)102320h2381117H47H21H3(H2728)(H2930)
MFCD13759314
ZINC000036360092
ZINC000036360093
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