Vitas-M small molecule compound
3-(3-{carboxy[4-(2-cyanoethyl)piperazin-1-yl]methyl}-5-methoxy-1H-indol-1-yl)propanoic acid
Catalog ID
STK942884
SMILES N#CCCN1CCN(CC1)C(c1cn(c2c1cc(OC)cc2)CCC(=O)O)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 C21H26N4O5 MW 414.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26N4O5/c1-30-15-3-4-18-16(13-15)17(14-25(18)8-5-19(26)27)20(21(28)29)24-11-9-23(10-12-24)7-2-6-22/h3-4,13-14,20H,2,5,7-12H2,1H3,(H,26,27)(H,28,29)InChIKey
GIGFKADCGLZWQI-UHFFFAOYSA-NSynonyms
1214813-08-71214813087
3(3(carboxy(4(2cyanoethyl)piperazin1yl)methyl)5methoxy1Hindol1yl)propanoicacid
3(3(carboxy(4(2cyanoethyl)piperazin1yl)methyl)5methoxyindol1yl)propanoicacid
COC1=CC2=C(C=C1)N(C=C2C(C(=O)O)N3CCN(CC3)CCC#N)CCC(=O)O
InChI=1SC21H26N4O5c13015341816(1315)17(1425(18)8519(26)27)20(21(28)29)2411923(101224)72622h34131420H25712H21H3(H2627)(H2829)
MFCD13757809
ZINC000036358284
ZINC000036358285
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