Vitas-M small molecule compound
2-[(4-bromo-3-methylphenyl)amino]-2-oxoethyl (2E)-3-(3,4-dimethoxyphenyl)prop-2-enoate
Catalog ID
STL187445
SMILES COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(c(c2)C)Br)ccc1OC
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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 C20H20BrNO5 MW 434.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20BrNO5/c1-13-10-15(6-7-16(13)21)22-19(23)12-27-20(24)9-5-14-4-8-17(25-2)18(11-14)26-3/h4-11H,12H2,1-3H3,(H,22,23)/b9-5+InChIKey
YYTVONTTXNBZEG-WEVVVXLNSA-NSynonyms
(2(4bromo3methylanilino)2oxoethyl)(E)3(34dimethoxyphenyl)prop2enoate
2((4bromo3methylphenyl)amino)2oxoethyl(2E)3(34dimethoxyphenyl)prop2enoate
CC1=C(C=CC(=C1)NC(=O)COC(=O)C=CC2=CC(=C(C=C2)OC)OC)Br
COc1cc(C=CC(=O)OCC(=O)Nc2ccc(c(c2)C)Br)ccc1OC
InChI=1SC20H20BrNO5c1131015(6716(13)21)2219(23)122720(24)95144817(252)18(1114)263h411H12H213H3(H2223)b95+
MFCD05279779
ZINC000010869119
ZINC10869119
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