Vitas-M small molecule compound
5-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)-3-(4-methoxyphenyl)-1,2,4-oxadiazole
Catalog ID
STL415829
SMILES COc1ccc(cc1)c1noc(n1)CSc1nnc(n1C)c1ccc2c(c1)OCCCO2
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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 C22H21N5O4S MW 451.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H21N5O4S/c1-27-21(15-6-9-17-18(12-15)30-11-3-10-29-17)24-25-22(27)32-13-19-23-20(26-31-19)14-4-7-16(28-2)8-5-14/h4-9,12H,3,10-11,13H2,1-2H3InChIKey
GSFNGPVHUGUUGY-UHFFFAOYSA-NSynonyms
5(((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)methyl)3(4methoxyphenyl)124oxadiazole
5((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanylmethyl)3(4methoxyphenyl)124oxadiazole
CN1C(=NN=C1SCC2=NC(=NO2)C3=CC=C(C=C3)OC)C4=CC5=C(C=C4)OCCCO5
InChI=1SC22H21N5O4Sc12721(15691718(1215)30113102917)242522(27)3213192320(263119)144716(282)8514h4912H3101113H212H3
MFCD27220666
ZINC000021723287
ZINC21723287
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