Vitas-M small molecule compound
3-{carboxy[4-(2-cyanoethyl)piperazin-1-yl]methyl}-1-methyl-1H-indole-5-carboxylic acid
Catalog ID
STK942738
SMILES N#CCCN1CCN(CC1)C(c1cn(c2c1cc(cc2)C(=O)O)C)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 C19H22N4O4 MW 370.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H22N4O4/c1-21-12-15(14-11-13(18(24)25)3-4-16(14)21)17(19(26)27)23-9-7-22(8-10-23)6-2-5-20/h3-4,11-12,17H,2,6-10H2,1H3,(H,24,25)(H,26,27)InChIKey
CZCUUGSERIPKKY-UHFFFAOYSA-NSynonyms
1214020-57-11214020571
3(carboxy(4(2cyanoethyl)piperazin1yl)methyl)1methyl1Hindole5carboxylicacid
3(carboxy(4(2cyanoethyl)piperazin1yl)methyl)1methylindole5carboxylicacid
CN1C=C(C2=C1C=CC(=C2)C(=O)O)C(C(=O)O)N3CCN(CC3)CCC#N
InChI=1SC19H22N4O4c1211215(141113(18(24)25)3416(14)21)17(19(26)27)239722(81023)62520h34111217H2610H21H3(H2425)(H2627)
MFCD13757832
ZINC000036358317
ZINC000036358318
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