Vitas-M small molecule compound
N-[(2E)-2-{[(5-bromofuran-2-yl)carbonyl]amino}-3-(3-nitrophenyl)prop-2-enoyl]-beta-alanine
Catalog ID
STL297664
SMILES OC(=O)CCNC(=O)/C(=C\c1cccc(c1)[N+](=O)[O-])/NC(=O)c1ccc(o1)Br
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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 C17H14BrN3O7 MW 452.22 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H14BrN3O7/c18-14-5-4-13(28-14)17(25)20-12(16(24)19-7-6-15(22)23)9-10-2-1-3-11(8-10)21(26)27/h1-5,8-9H,6-7H2,(H,19,24)(H,20,25)(H,22,23)/b12-9+InChIKey
LMYGSYGXSHSMJK-FMIVXFBMSA-NSynonyms
317843-19-9(E)3(2(5bromofuran2carboxamido)3(3nitrophenyl)acrylamido)propanoicacid
3(((E)2((5BROMOFURAN2CARBONYL)AMINO)3(3NITROPHENYL)PROP2ENOYL)AMINO)PROPANOICACID
3((2E)2((5BROMOFURAN2YL)FORMAMIDO)3(3NITROPHENYL)PROP2ENAMIDO)PROPANOICACID
317843199
C1=CC(=CC(=C1)(N+)(=O)(O))C=C(C(=O)NCCC(=O)O)NC(=O)C2=CC=C(O2)Br
InChI=1SC17H14BrN3O7c18145413(2814)17(25)2012(16(24)197615(22)23)91021311(810)21(26)27h1589H67H2(H1924)(H2025)(H2223)b129+
MFCD00698811
N((2E)2(((5bromofuran2yl)carbonyl)amino)3(3nitrophenyl)prop2enoyl)betaalanine
OC(=O)CCNC(=O)C(=Cc1cccc(c1)(N+)(=O)(O))NC(=O)c1ccc(o1)Br
ZINC000008738728
ZINC8738728
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