Vitas-M small molecule compound
ethyl 6-bromo-5-hydroxy-1-methyl-2-[(phenylsulfanyl)methyl]-4-(piperidin-1-ylmethyl)-1H-indole-3-carboxylate
Catalog ID
STK688829
SMILES CCOC(=O)c1c(CSc2ccccc2)n(c2c1c(CN1CCCCC1)c(O)c(c2)Br)C
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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 C25H29BrN2O3S MW 517.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H29BrN2O3S/c1-3-31-25(30)23-21(16-32-17-10-6-4-7-11-17)27(2)20-14-19(26)24(29)18(22(20)23)15-28-12-8-5-9-13-28/h4,6-7,10-11,14,29H,3,5,8-9,12-13,15-16H2,1-2H3InChIKey
NPINBQPANGKBQR-UHFFFAOYSA-NSynonyms
842162-49-66bromo3ethoxycarbonyl1methyl2(phenylsulfanylmethyl)4(piperidin1ium1ylmethyl)indol5olate
842162496
CCOC(=O)C1=C(N(C2=CC(=C(C(=C21)C(NH+)3CCCCC3)(O))Br)C)CSC4=CC=CC=C4
ethyl6bromo5hydroxy1methyl2((phenylsulfanyl)methyl)4(piperidin1ylmethyl)1Hindole3carboxylate
ETHYL6BROMO5HYDROXY1METHYL2(PHENYLSULFANYLMETHYL)4(PIPERIDIN1YLMETHYL)INDOLE3CARBOXYLATE
InChI=1SC25H29BrN2O3Sc133125(30)2321(163217106471117)27(2)201419(26)24(29)18(22(20)23)1528128591328h46710111429H358912131516H212H3
MFCD07658798
ZINC000015023783
ZINC15023783
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