Vitas-M small molecule compound
2-[(4-bromo-2-fluorophenyl)amino]-2-oxoethyl (2E)-3-(3,4,5-trimethoxyphenyl)prop-2-enoate
Catalog ID
STL187550
SMILES COc1cc(/C=C/C(=O)OCC(=O)Nc2ccc(cc2F)Br)cc(c1OC)OC
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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 C20H19BrFNO6 MW 468.28 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19BrFNO6/c1-26-16-8-12(9-17(27-2)20(16)28-3)4-7-19(25)29-11-18(24)23-15-6-5-13(21)10-14(15)22/h4-10H,11H2,1-3H3,(H,23,24)/b7-4+InChIKey
KSFYIIYBIYTUTO-QPJJXVBHSA-NSynonyms
(2(4bromo2fluoroanilino)2oxoethyl)(E)3(345trimethoxyphenyl)prop2enoate
2((4bromo2fluorophenyl)amino)2oxoethyl(2E)3(345trimethoxyphenyl)prop2enoate
COC1=CC(=CC(=C1OC)OC)C=CC(=O)OCC(=O)NC2=C(C=C(C=C2)Br)F
COc1cc(C=CC(=O)OCC(=O)Nc2ccc(cc2F)Br)cc(c1OC)OC
InChI=1SC20H19BrFNO6c12616812(917(272)20(16)283)4719(25)291118(24)23156513(21)1014(15)22h410H11H213H3(H2324)b74+
MFCD05286233
ZINC000039588669
ZINC39588669
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