Vitas-M small molecule compound
ethyl 6-bromo-2-[({5-[(2E)-but-2-en-1-yl]-3-cyano-4,6-dimethylpyridin-2-yl}sulfanyl)methyl]-5-hydroxy-1-methyl-1H-indole-3-carboxylate
Catalog ID
STK673012
SMILES C/C=C/Cc1c(C)nc(c(c1C)C#N)SCc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)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 C25H26BrN3O3S MW 528.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H26BrN3O3S/c1-6-8-9-16-14(3)18(12-27)24(28-15(16)4)33-13-21-23(25(31)32-7-2)17-10-22(30)19(26)11-20(17)29(21)5/h6,8,10-11,30H,7,9,13H2,1-5H3/b8-6+InChIKey
FCXIPUKAFYOFSF-SOFGYWHQSA-NSynonyms
CC=CCc1c(C)nc(c(c1C)C#N)SCc1n(C)c2c(c1C(=O)OCC)cc(c(c2)Br)O
CCOC(=O)C1=C(N(C2=CC(=C(C=C21)O)Br)C)CSC3=NC(=C(C(=C3C#N)C)CC=CC)C
ETHYL2((5((2E)BUT2ENYL)3CYANO46DIMETHYL(2PYRIDYLTHIO))METHYL)6BROMO5HYDROXY1METHYLINDOLE3CARBOXYLATE
ethyl6bromo2(((5((2E)but2en1yl)3cyano46dimethylpyridin2yl)sulfanyl)methyl)5hydroxy1methyl1Hindole3carboxylate
ETHYL6BROMO2((5((E)BUT2ENYL)3CYANO46DIMETHYLPYRIDIN2YL)SULFANYLMETHYL)5HYDROXY1METHYLINDOLE3CARBOXYLATE
InChI=1SC25H26BrN3O3Sc16891614(3)18(1227)24(2815(16)4)33132123(25(31)3272)171022(30)19(26)1120(17)29(21)5h68101130H7913H215H3b86+
MFCD00827451
ZINC000008442746
ZINC08442746
ZINC8442746
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.