Vitas-M small molecule compound
(2Z)-3-(2,5-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL052319
SMILES COc1ccc(cc1/C=C(/C(=O)[O-])\Sc1[nH]nc([nH+]1)C)OC
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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 C14H15N3O4S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4S/c1-8-15-14(17-16-8)22-12(13(18)19)7-9-6-10(20-2)4-5-11(9)21-3/h4-7H,1-3H3,(H,18,19)(H,15,16,17)/b12-7-InChIKey
VZAKONMJUSEQOD-GHXNOFRVSA-NSynonyms
679424-85-2(2Z)3(25dimethoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(Z)3(25DIMETHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
CC1=NC(=NN1)SC(=CC2=C(C=CC(=C2)OC)OC)C(=O)O
COc1ccc(cc1C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C)OC
InChI=1SC14H15N3O4Sc181514(17168)2212(13(18)19)79610(202)4511(9)213h47H13H3(H1819)(H151617)b127
MFCD05732509
ZINC5025696
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