Vitas-M small molecule compound

(2E)-2-[(5-methyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-phenylprop-2-enoic acid

Catalog ID
STL505902
SMILES OC(=O)/C(=C\c1ccccc1)/Sc1nnc([nH]1)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 C12H11N3O2S MW 261.30 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H11N3O2S/c1-8-13-12(15-14-8)18-10(11(16)17)7-9-5-3-2-4-6-9/h2-7H,1H3,(H,16,17)(H,13,14,15)/b10-7+
InChIKey
WOHCJTFSOQCTBE-JXMROGBWSA-N
Synonyms

(~(E))2((5methyl1~(H)124triazol3yl)sulfanyl)3phenylprop2enoicacid
(2E)2((5methyl4H124triazol3yl)sulfanyl)3phenylprop2enoicacid
(E)2((5METHYL1H124TRIAZOL3YL)SULFANYL)3PHENYLPROP2ENOICACID
(Z)2((5methyl4H124triazol3yl)thio)3phenylacrylicacid
937417
InChI=1SC12H11N3O2Sc181312(15148)1810(11(16)17)79532469h27H1H3(H1617)(H131415)b107+
MFCD04327451
OC(=O)C(=Cc1ccccc1)Sc1nnc((nH)1)C
ZINC000005955447

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.