Vitas-M small molecule compound
({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetic acid
Catalog ID
STK807226
SMILES OC(=O)CSc1nnc(n1c1ccccc1)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 C18H15N3O5S MW 385.40 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N3O5S/c22-17(23)10-27-18-20-19-16(21(18)12-4-2-1-3-5-12)9-24-13-6-7-14-15(8-13)26-11-25-14/h1-8H,9-11H2,(H,22,23)InChIKey
KACVMPMLMMBIPK-UHFFFAOYSA-NSynonyms
((5((13benzodioxol5yloxy)methyl)4phenyl4H124triazol3yl)sulfanyl)aceticacid
2((5(13BENZODIOXOL5YLOXYMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETICACID
C1OC2=C(O1)C=C(C=C2)OCC3=NN=C(N3C4=CC=CC=C4)SCC(=O)O
InChI=1SC18H15N3O5Sc2217(23)102718201916(21(18)124213512)92413671415(813)26112514h18H911H2(H2223)
MFCD03861413
ZINC000000702816
ZINC702816
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