Vitas-M small molecule compound
methyl (2E)-3-(5-bromo-4H-1,2,4-triazol-3-yl)prop-2-enoate
Catalog ID
STL247376
SMILES COC(=O)/C=C/c1nnc([nH]1)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 C6H6BrN3O2 MW 232.04 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H6BrN3O2/c1-12-5(11)3-2-4-8-6(7)10-9-4/h2-3H,1H3,(H,8,9,10)/b3-2+InChIKey
UKMPNKYGEMQZRP-NSCUHMNNSA-NSynonyms
1365988-78-8(Z)methyl3(5bromo1H124triazol3yl)acrylate
1365988788
COC(=O)C=CC1=NNC(=N1)Br
COC(=O)C=Cc1n(nH)c(n1)Br
COC(=O)C=Cc1nnc((nH)1)Br
InChI=1SC6H6BrN3O2c1125(11)32486(7)1094h23H1H3(H8910)b32+
methyl(2E)3(5bromo4H124triazol3yl)prop2enoate
methyl(E)3(5bromo1H124triazol3yl)prop2enoate
MFCD24860871
ZINC000080331233
ZINC80331233
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