Vitas-M small molecule compound
3-(6-bromo-3-{carboxy[4-(2-methylprop-2-en-1-yl)piperazin-1-yl]methyl}-1H-indol-1-yl)propanoic acid
Catalog ID
STK931643
SMILES CC(=C)CN1CCN(CC1)C(c1cn(c2c1ccc(c2)Br)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 C21H26BrN3O4 MW 464.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H26BrN3O4/c1-14(2)12-23-7-9-24(10-8-23)20(21(28)29)17-13-25(6-5-19(26)27)18-11-15(22)3-4-16(17)18/h3-4,11,13,20H,1,5-10,12H2,2H3,(H,26,27)(H,28,29)InChIKey
FDGSJWGECAOZPR-UHFFFAOYSA-NSynonyms
1214694-02-61214694026
3(6bromo3(carboxy(4(2methylallyl)piperazin1yl)methyl)1Hindol1yl)propanoicacid
3(6bromo3(carboxy(4(2methylprop2en1yl)piperazin1yl)methyl)1Hindol1yl)propanoicacid
3(6bromo3(carboxy(4(2methylprop2enyl)piperazin1yl)methyl)indol1yl)propanoicacid
CC(=C)CN1CCN(CC1)C(C2=CN(C3=C2C=CC(=C3)Br)CCC(=O)O)C(=O)O
InChI=1SC21H26BrN3O4c114(2)12237924(10823)20(21(28)29)171325(6519(26)27)181115(22)3416(17)18h34111320H151012H22H3(H2627)(H2829)
MFCD13755660
ZINC000036353082
ZINC000036353085
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