Vitas-M small molecule compound
4-({(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-[4-(propan-2-yloxy)phenyl]prop-2-enoyl}amino)butanoic acid
Catalog ID
STL297555
SMILES CC(Oc1ccc(cc1)/C=C(\C(=O)NCCCC(=O)O)/NC(=O)c1ccc(o1)Br)C
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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 C21H23BrN2O6 MW 479.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23BrN2O6/c1-13(2)29-15-7-5-14(6-8-15)12-16(20(27)23-11-3-4-19(25)26)24-21(28)17-9-10-18(22)30-17/h5-10,12-13H,3-4,11H2,1-2H3,(H,23,27)(H,24,28)(H,25,26)/b16-12+InChIKey
JMSQCMCLDLTGBP-FOWTUZBSSA-NSynonyms
327100-80-1(E)4(2(5bromofuran2carboxamido)3(4isopropoxyphenyl)acrylamido)butanoicacid
327100801
4(((2E)2(((5bromofuran2yl)carbonyl)amino)3(4(propan2yloxy)phenyl)prop2enoyl)amino)butanoicacid
4(((E)2((5BROMOFURAN2CARBONYL)AMINO)3(4PROPAN2YLOXYPHENYL)PROP2ENOYL)AMINO)BUTANOICACID
4((2E)2((5BROMOFURAN2YL)FORMAMIDO)3(4(PROPAN2YLOXY)PHENYL)PROP2ENAMIDO)BUTANOICACID
CC(C)OC1=CC=C(C=C1)C=C(C(=O)NCCCC(=O)O)NC(=O)C2=CC=C(O2)Br
CC(Oc1ccc(cc1)C=C(C(=O)NCCCC(=O)O)NC(=O)c1ccc(o1)Br)C
InChI=1SC21H23BrN2O6c113(2)29157514(6815)1216(20(27)23113419(25)26)2421(28)1791018(22)3017h5101213H3411H212H3(H2327)(H2428)(H2526)b1612+
MFCD00698802
ZINC000012382745
ZINC12382745
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