Vitas-M small molecule compound
(2E)-3-(2,3-dimethoxyphenyl)-2-[(3-methyl-1H-1,2,4-triazol-4-ium-5-yl)sulfanyl]prop-2-enoate
Catalog ID
STL056669
SMILES COc1c(cccc1OC)/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 C14H15N3O4S MW 321.36 g/mol Purity >90% as per NMR
InChI
InChI=1S/C14H15N3O4S/c1-8-15-14(17-16-8)22-11(13(18)19)7-9-5-4-6-10(20-2)12(9)21-3/h4-7H,1-3H3,(H,18,19)(H,15,16,17)/b11-7+InChIKey
RYKVXXZZFJKTHX-YRNVUSSQSA-NSynonyms
577764-31-9(2E)3(23dimethoxyphenyl)2((3methyl1H124triazol4ium5yl)sulfanyl)prop2enoate
(E)3(23DIMETHOXYPHENYL)2((5METHYL1H124TRIAZOL3YL)SULFANYL)PROP2ENOICACID
577764319
CC1=NC(=NN1)SC(=CC2=C(C(=CC=C2)OC)OC)C(=O)O
COc1c(cccc1OC)C=C(C(=O)(O))Sc1(nH)nc((nH+)1)C
InChI=1SC14H15N3O4Sc181514(17168)2211(13(18)19)7954610(202)12(9)213h47H13H3(H1819)(H151617)b117+
MFCD05729255
ZINC000001253013
ZINC1253013
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