Vitas-M small molecule compound
(2E)-2-(3,4-dihydroisoquinolin-2(1H)-ylcarbonyl)-3-{1-[2-(2,5-dimethylphenoxy)ethyl]-1H-indol-3-yl}prop-2-enenitrile
Catalog ID
STL000635
SMILES N#C/C(=C\c1cn(c2c1cccc2)CCOc1cc(C)ccc1C)/C(=O)N1CCc2c(C1)cccc2
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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 C31H29N3O2 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O2/c1-22-11-12-23(2)30(17-22)36-16-15-33-21-27(28-9-5-6-10-29(28)33)18-26(19-32)31(35)34-14-13-24-7-3-4-8-25(24)20-34/h3-12,17-18,21H,13-16,20H2,1-2H3/b26-18+InChIKey
UJRJYHZVRAYICR-NLRVBDNBSA-NSynonyms
347325-67-1(2E)2(34dihydroisoquinolin2(1H)ylcarbonyl)3(1(2(25dimethylphenoxy)ethyl)1Hindol3yl)prop2enenitrile
(E)2(34DIHYDRO1HISOQUINOLINE2CARBONYL)3(1(2(25DIMETHYLPHENOXY)ETHYL)INDOL3YL)PROP2ENENITRILE
(E)3(1(2(25dimethylphenoxy)ethyl)1Hindol3yl)2(1234tetrahydroisoquinoline2carbonyl)acrylonitrile
347325671
CC1=CC(=C(C=C1)C)OCCN2C=C(C3=CC=CC=C32)C=C(C#N)C(=O)N4CCC5=CC=CC=C5C4
InChI=1SC31H29N3O2c122111223(2)30(1722)361615332127(289561029(28)33)1826(1932)31(35)34141324734825(24)2034h312171821H131620H212H3b2618+
MFCD02175574
N#CC(=Cc1cn(c2c1cccc2)CCOc1cc(C)ccc1C)C(=O)N1CCc2c(C1)cccc2
ZINC000001084441
ZINC01084441
ZINC1084441
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