Vitas-M small molecule compound
2-{[5-(1,3-benzodioxol-5-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-hydroxy-2,4-dimethoxyphenyl)ethanone
Catalog ID
STL182536
SMILES COc1c(ccc(c1O)OC)C(=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 C20H19N3O6S MW 429.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H19N3O6S/c1-23-19(11-4-6-14-16(8-11)29-10-28-14)21-22-20(23)30-9-13(24)12-5-7-15(26-2)17(25)18(12)27-3/h4-8,25H,9-10H2,1-3H3InChIKey
XPMUUHHTSUAWQR-UHFFFAOYSA-NSynonyms
2((5(13benzodioxol5yl)4methyl124triazol3yl)sulfanyl)1(3hydroxy24dimethoxyphenyl)ethanone
2((5(13benzodioxol5yl)4methyl4H124triazol3yl)sulfanyl)1(3hydroxy24dimethoxyphenyl)ethanone
CN1C(=NN=C1SCC(=O)C2=C(C(=C(C=C2)OC)O)OC)C3=CC4=C(C=C3)OCO4
InChI=1SC20H19N3O6Sc12319(11461416(811)29102814)212220(23)30913(24)125715(262)17(25)18(12)273h4825H910H213H3
MFCD22125374
ZINC000072191446
ZINC72191446
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