Vitas-M small molecule compound
(2Z)-3-(4-fluorophenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STK569684
SMILES Fc1ccc(cc1)/C=C(/C(=O)[O-])\Sc1[nH]nc([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 C12H10FN3O2S MW 279.29 g/mol Purity >90% as per NMR
InChI
InChI=1S/C12H10FN3O2S/c1-7-14-12(16-15-7)19-10(11(17)18)6-8-2-4-9(13)5-3-8/h2-6H,1H3,(H,17,18)(H,14,15,16)/b10-6-InChIKey
VWIVLRNMNBWLGL-POHAHGRESA-NSynonyms
678550-72-6(2Z)3(4fluorophenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(4FLUOROPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
678550726
CC1=NC(=NN1)SC(=CC2=CC=C(C=C2)F)C(=O)O
Fc1ccc(cc1)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC12H10FN3O2Sc171412(16157)1910(11(17)18)68249(13)538h26H1H3(H1718)(H141516)b106
MFCD05726297
ZINC000006129862
ZINC6129862
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