Vitas-M small molecule compound
ethyl 1-benzyl-6-bromo-5-hydroxy-2-[(4-phenylpiperazin-1-yl)methyl]-1H-indole-3-carboxylate
Catalog ID
STK746955
SMILES CCOC(=O)c1c2cc(O)c(cc2n(c1CN1CCN(CC1)c1ccccc1)Cc1ccccc1)Br
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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 C29H30BrN3O3 MW 548.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H30BrN3O3/c1-2-36-29(35)28-23-17-27(34)24(30)18-25(23)33(19-21-9-5-3-6-10-21)26(28)20-31-13-15-32(16-14-31)22-11-7-4-8-12-22/h3-12,17-18,34H,2,13-16,19-20H2,1H3InChIKey
QVYFYKFFDYJJDH-UHFFFAOYSA-NSynonyms
300809-15-8300809158
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)C5=CC=CC=C5
ETHYL1BENZYL6BROMO5HYDROXY2((4PHENYLPIPERAZIN1YL)METHYL)1HINDOLE3CARBOXYLATE
ETHYL1BENZYL6BROMO5HYDROXY2((4PHENYLPIPERAZIN1YL)METHYL)INDOLE3CARBOXYLATE
ETHYL6BROMO5HYDROXY1BENZYL2((4PHENYLPIPERAZINYL)METHYL)INDOLE3CARBOXYLATE
InChI=1SC29H30BrN3O3c123629(35)28231727(34)24(30)1825(23)33(192195361021)26(28)2031131532(161431)22117481222h312171834H213161920H21H3
MFCD00741908
ZINC000097951907
ZINC97951907
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