Vitas-M small molecule compound
(2E)-3-(3-chloro-1H-1,2,4-triazol-5-yl)prop-2-enoic acid
Catalog ID
STL248005
SMILES OC(=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 C5H4ClN3O2 MW 173.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C5H4ClN3O2/c6-5-7-3(8-9-5)1-2-4(10)11/h1-2H,(H,10,11)(H,7,8,9)/b2-1+InChIKey
GZNAFTZWFWSTFJ-OWOJBTEDSA-NSynonyms
1322627-52-0(2E)3(3chloro1H124triazol5yl)prop2enoicacid
(E)3(3CHLORO1H124TRIAZOL5YL)ACRYLICACID
(E)3(5chloro1H124triazol3yl)prop2enoicacid
1322627520
C(=CC(=O)O)C1=NNC(=N1)Cl
InChI=1SC5H4ClN3O2c6573(895)124(10)11h12H(H1011)(H789)b21+
MFCD19691826
OC(=O)C=Cc1nc(n(nH)1)Cl
ZINC000066442685
ZINC66442685
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