Vitas-M small molecule compound
1-(3-hydroxy-2,4-dimethoxyphenyl)-2-{[5-(7-methoxy-1-benzofuran-2-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}ethanone
Catalog ID
STL198231
SMILES COc1ccc(c(c1O)OC)C(=O)CSc1nnc(n1C)c1cc2c(o1)c(OC)ccc2
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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 C22H21N3O6S MW 455.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N3O6S/c1-25-21(17-10-12-6-5-7-16(29-3)19(12)31-17)23-24-22(25)32-11-14(26)13-8-9-15(28-2)18(27)20(13)30-4/h5-10,27H,11H2,1-4H3InChIKey
OBZPHVSYZFTQNC-UHFFFAOYSA-NSynonyms
1(3hydroxy24dimethoxyphenyl)2((5(7methoxy1benzofuran2yl)4methyl124triazol3yl)sulfanyl)ethanone
1(3hydroxy24dimethoxyphenyl)2((5(7methoxy1benzofuran2yl)4methyl4H124triazol3yl)sulfanyl)ethanone
CN1C(=NN=C1SCC(=O)C2=C(C(=C(C=C2)OC)O)OC)C3=CC4=C(O3)C(=CC=C4)OC
InChI=1SC22H21N3O6Sc12521(17101265716(293)19(12)3117)232422(25)321114(26)138915(282)18(27)20(13)304h51027H11H214H3
MFCD18434961
ZINC000057291891
ZINC57291891
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