Vitas-M small molecule compound
ethyl 6-bromo-2-{[4-(cyanomethyl)piperazin-1-yl]methyl}-5-hydroxy-4-(morpholin-4-ylmethyl)-1-phenyl-1H-indole-3-carboxylate
Catalog ID
STK684087
SMILES CCOC(=O)c1c(CN2CCN(CC2)CC#N)n(c2c1c(CN1CCOCC1)c(O)c(c2)Br)c1ccccc1
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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 C29H34BrN5O4 MW 596.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H34BrN5O4/c1-2-39-29(37)27-25(20-33-12-10-32(9-8-31)11-13-33)35(21-6-4-3-5-7-21)24-18-23(30)28(36)22(26(24)27)19-34-14-16-38-17-15-34/h3-7,18,36H,2,9-17,19-20H2,1H3InChIKey
YYOMHEYRWAXSCP-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)CN3CCOCC3)O)Br)C4=CC=CC=C4)CN5CCN(CC5)CC#N
ethyl6bromo2((4(cyanomethyl)piperazin1yl)methyl)5hydroxy4(morpholin4ylmethyl)1phenyl1Hindole3carboxylate
ETHYL6BROMO2((4(CYANOMETHYL)PIPERAZIN1YL)METHYL)5HYDROXY4(MORPHOLIN4YLMETHYL)1PHENYLINDOLE3CARBOXYLATE
InChI=1SC29H34BrN5O4c123929(37)2725(2033121032(9831)111333)35(216435721)241823(30)28(36)22(26(24)27)1934141638171534h371836H29171920H21H3
MFCD05042285
ZINC000098006354
ZINC98006354
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