Vitas-M small molecule compound
methyl ({5-[(1,3-benzodioxol-5-yloxy)methyl]-4-phenyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
Catalog ID
STK807224
SMILES COC(=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 C19H17N3O5S MW 399.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H17N3O5S/c1-24-18(23)11-28-19-21-20-17(22(19)13-5-3-2-4-6-13)10-25-14-7-8-15-16(9-14)27-12-26-15/h2-9H,10-12H2,1H3InChIKey
HFLVDBUOCOGFSM-UHFFFAOYSA-NSynonyms
COC(=O)CSC1=NN=C(N1C2=CC=CC=C2)COC3=CC4=C(C=C3)OCO4
InChI=1SC19H17N3O5Sc12418(23)112819212017(22(19)135324613)102514781516(914)27122615h29H1012H21H3
methyl((5((13benzodioxol5yloxy)methyl)4phenyl4H124triazol3yl)sulfanyl)acetate
METHYL2((5(13BENZODIOXOL5YLOXYMETHYL)4PHENYL124TRIAZOL3YL)SULFANYL)ACETATE
METHYL2(5(2HBENZO(34D)13DIOXOLAN5YLOXYMETHYL)4PHENYL124TRIAZOL3YLTHIO)ACETATE
MFCD04212405
ZINC000002641664
ZINC02641664
ZINC2641664
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