Vitas-M small molecule compound
(2E)-3-{1-[2-(4-tert-butylphenoxy)ethyl]-1H-indol-3-yl}-2-(pyrrolidin-1-ylcarbonyl)prop-2-enenitrile
Catalog ID
STL168272
SMILES N#C/C(=C\c1cn(c2c1cccc2)CCOc1ccc(cc1)C(C)(C)C)/C(=O)N1CCCC1
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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 C28H31N3O2 MW 441.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H31N3O2/c1-28(2,3)23-10-12-24(13-11-23)33-17-16-31-20-22(25-8-4-5-9-26(25)31)18-21(19-29)27(32)30-14-6-7-15-30/h4-5,8-13,18,20H,6-7,14-17H2,1-3H3/b21-18+InChIKey
GSXUZUUNWICLQB-DYTRJAOYSA-NSynonyms
(2E)3(1(2(4tertbutylphenoxy)ethyl)1Hindol3yl)2(pyrrolidin1ylcarbonyl)prop2enenitrile
(E)3(1(2(4tertbutylphenoxy)ethyl)indol3yl)2(pyrrolidine1carbonyl)prop2enenitrile
CC(C)(C)C1=CC=C(C=C1)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)N4CCCC4
InChI=1SC28H31N3O2c128(23)23101224(131123)331716312022(25845926(25)31)1821(1929)27(32)3014671530h458131820H671417H213H3b2118+
MFCD02243365
N#CC(=Cc1cn(c2c1cccc2)CCOc1ccc(cc1)C(C)(C)C)C(=O)N1CCCC1
ZINC000015931738
ZINC15931738
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