Vitas-M small molecule compound
3-{carboxy[4-(pyrimidin-2-yl)piperazin-1-yl]methyl}-1-methyl-1H-indole-6-carboxylic acid
Catalog ID
STK930542
SMILES OC(=O)C(c1cn(c2c1ccc(c2)C(=O)O)C)N1CCN(CC1)c1ncccn1
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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 C20H21N5O4 MW 395.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4/c1-23-12-15(14-4-3-13(18(26)27)11-16(14)23)17(19(28)29)24-7-9-25(10-8-24)20-21-5-2-6-22-20/h2-6,11-12,17H,7-10H2,1H3,(H,26,27)(H,28,29)InChIKey
SJCSWHWAQFMDQI-UHFFFAOYSA-NSynonyms
1214055-09-01214055090
3(carboxy(4(pyrimidin2yl)piperazin1yl)methyl)1methyl1Hindole6carboxylicacid
3(carboxy(4pyrimidin2ylpiperazin1yl)methyl)1methylindole6carboxylicacid
CN1C=C(C2=C1C=C(C=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)C4=NC=CC=N4
InChI=1SC20H21N5O4c1231215(144313(18(26)27)1116(14)23)17(19(28)29)247925(10824)20215262220h26111217H710H21H3(H2627)(H2829)
MFCD13760110
ZINC000036364890
ZINC000036364891
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