Vitas-M small molecule compound
methyl (2E)-3-(3-chloro-1H-1,2,4-triazol-5-yl)prop-2-enoate
Catalog ID
STL249199
SMILES COC(=O)/C=C/c1nc(n[nH]1)Cl
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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 C6H6ClN3O2 MW 187.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C6H6ClN3O2/c1-12-5(11)3-2-4-8-6(7)10-9-4/h2-3H,1H3,(H,8,9,10)/b3-2+InChIKey
ITDXJJYTVKMMEJ-NSCUHMNNSA-NSynonyms
1322627-53-1(E)METHYL3(3CHLORO1H124TRIAZOL5YL)ACRYLATE
1322627531
COC(=O)C=CC1=NNC(=N1)Cl
COC(=O)C=Cc1nc(n(nH)1)Cl
InChI=1SC6H6ClN3O2c1125(11)32486(7)1094h23H1H3(H8910)b32+
methyl(2E)3(3chloro1H124triazol5yl)prop2enoate
methyl(E)3(5chloro1H124triazol3yl)prop2enoate
MFCD19691825
ZINC000100023571
ZINC100023571
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