Vitas-M small molecule compound
[5-bromo-1-(carboxymethyl)-1H-indol-3-yl][4-(2-cyanoethyl)piperazin-1-yl]acetic acid
Catalog ID
STK933968
SMILES N#CCCN1CCN(CC1)C(c1cn(c2c1cc(Br)cc2)CC(=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 C19H21BrN4O4 MW 449.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H21BrN4O4/c20-13-2-3-16-14(10-13)15(11-24(16)12-17(25)26)18(19(27)28)23-8-6-22(7-9-23)5-1-4-21/h2-3,10-11,18H,1,5-9,12H2,(H,25,26)(H,27,28)InChIKey
OQPBDDDLRICFAV-UHFFFAOYSA-NSynonyms
1214064-90-0(5bromo1(carboxymethyl)1Hindol3yl)(4(2cyanoethyl)piperazin1yl)aceticacid
1214064900
2(5bromo1(carboxymethyl)1Hindol3yl)2(4(2cyanoethyl)piperazin1yl)aceticacid
2(5bromo1(carboxymethyl)indol3yl)2(4(2cyanoethyl)piperazin1yl)aceticacid
C1CN(CCN1CCC#N)C(C2=CN(C3=C2C=C(C=C3)Br)CC(=O)O)C(=O)O
InChI=1SC19H21BrN4O4c2013231614(1013)15(1124(16)1217(25)26)18(19(27)28)238622(7923)51421h23101118H15912H2(H2526)(H2728)
MFCD13757323
ZINC000036357681
ZINC000036357682
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