Vitas-M small molecule compound
(2E)-2-(azepan-1-ylcarbonyl)-3-[4-(benzyloxy)-2-bromo-5-methoxyphenyl]prop-2-enenitrile
Catalog ID
STK322877
SMILES N#C/C(=C\c1cc(OC)c(cc1Br)OCc1ccccc1)/C(=O)N1CCCCCC1
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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 C24H25BrN2O3 MW 469.38 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H25BrN2O3/c1-29-22-14-19(13-20(16-26)24(28)27-11-7-2-3-8-12-27)21(25)15-23(22)30-17-18-9-5-4-6-10-18/h4-6,9-10,13-15H,2-3,7-8,11-12,17H2,1H3/b20-13+InChIKey
RWRKKRMMXJCYRB-DEDYPNTBSA-NSynonyms
(2E)2(azepan1ylcarbonyl)3(4(benzyloxy)2bromo5methoxyphenyl)prop2enenitrile
(E)2(azepane1carbonyl)3(2bromo5methoxy4phenylmethoxyphenyl)prop2enenitrile
COC1=C(C=C(C(=C1)C=C(C#N)C(=O)N2CCCCCC2)Br)OCC3=CC=CC=C3
InChI=1SC24H25BrN2O3c129221419(1320(1626)24(28)271172381227)21(25)1523(22)30171895461018h469101315H2378111217H21H3b2013+
MFCD09961636
N#CC(=Cc1cc(OC)c(cc1Br)OCc1ccccc1)C(=O)N1CCCCCC1
ZINC000012655225
ZINC12655225
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