Vitas-M small molecule compound
({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Catalog ID
STK807894
SMILES OC(=O)CSc1nnc(n1C)COc1ccc2c(c1)OCO2
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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 C13H13N3O5S MW 323.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O5S/c1-16-11(14-15-13(16)22-6-12(17)18)5-19-8-2-3-9-10(4-8)21-7-20-9/h2-4H,5-7H2,1H3,(H,17,18)InChIKey
REOOCYGSVUZNEG-UHFFFAOYSA-NSynonyms
((5((13benzodioxol5yloxy)methyl)4methyl4H124triazol3yl)sulfanyl)aceticacid
2((5(13benzodioxol5yloxymethyl)4methyl124triazol3yl)sulfanyl)aceticacid
CN1C(=NN=C1SCC(=O)O)COC2=CC3=C(C=C2)OCO3
InChI=1SC13H13N3O5Sc11611(141513(16)22612(17)18)519823910(48)217209h24H57H21H3(H1718)
MFCD06750979
ZINC000017043100
ZINC17043100
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