Vitas-M small molecule compound
ethyl 1-benzyl-2-[(4-benzylpiperazin-1-yl)methyl]-6-bromo-5-hydroxy-1H-indole-3-carboxylate
Catalog ID
STK681806
SMILES CCOC(=O)c1c(CN2CCN(CC2)Cc2ccccc2)n(c2c1cc(O)c(c2)Br)Cc1ccccc1
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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 C30H32BrN3O3 MW 562.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H32BrN3O3/c1-2-37-30(36)29-24-17-28(35)25(31)18-26(24)34(20-23-11-7-4-8-12-23)27(29)21-33-15-13-32(14-16-33)19-22-9-5-3-6-10-22/h3-12,17-18,35H,2,13-16,19-21H2,1H3InChIKey
ROCSMWBNFKAGOT-UHFFFAOYSA-NSynonyms
1BENZYL2((4BENZYLPIPERAZIN4IUM1YL)METHYL)6BROMO3ETHOXYCARBONYLINDOL5OLATE
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)CC3=CC=CC=C3)CN4CCN(CC4)CC5=CC=CC=C5
ethyl1benzyl2((4benzylpiperazin1yl)methyl)6bromo5hydroxy1Hindole3carboxylate
ETHYL1BENZYL2((4BENZYLPIPERAZIN1YL)METHYL)6BROMO5HYDROXYINDOLE3CARBOXYLATE
InChI=1SC30H32BrN3O3c123730(36)29241728(35)25(31)1826(24)34(2023117481223)27(29)2133151332(141633)192295361022h312171835H213161921H21H3
MFCD01622914
ZINC000097960005
ZINC97960005
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