Vitas-M small molecule compound
methyl {[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}acetate
Catalog ID
STK807086
SMILES COC(=O)CSc1nnc(n1C)c1ccc2c(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 C13H13N3O4S MW 307.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C13H13N3O4S/c1-16-12(14-15-13(16)21-6-11(17)18-2)8-3-4-9-10(5-8)20-7-19-9/h3-5H,6-7H2,1-2H3InChIKey
HJMUJIKBSNQJPR-UHFFFAOYSA-NSynonyms
496776-13-7(5BENZO(13)DIOXOL5YL4METHYL4H(124)TRIAZOL3YLSULFANYL)ACETICACIDMETHYLESTER
496776137
CN1C(=NN=C1SCC(=O)OC)C2=CC3=C(C=C2)OCO3
InChI=1SC13H13N3O4Sc11612(141513(16)21611(17)182)834910(58)207199h35H67H212H3
methyl((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)acetate
METHYL2((5(13BENZODIOXOL5YL)4METHYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2((5(BENZO(D)(13)DIOXOL5YL)4METHYL4H124TRIAZOL3YL)THIO)ACETATE
METHYL2(5(2HBENZO(34D)13DIOXOLAN5YL)4METHYL124TRIAZOL3YLTHIO)ACETATE
MFCD03621226
ZINC000000426933
ZINC00426933
ZINC426933
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