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-(3,4-dimethoxyphenyl)-1,2,4-oxadiazole

Catalog ID
STL406078
SMILES COc1cc(ccc1OC)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 C23H23N5O5S MW 481.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N5O5S/c1-28-22(15-6-8-17-19(12-15)32-10-4-9-31-17)25-26-23(28)34-13-20-24-21(27-33-20)14-5-7-16(29-2)18(11-14)30-3/h5-8,11-12H,4,9-10,13H2,1-3H3
InChIKey
GIQSUOKTXXUWNF-UHFFFAOYSA-N
Synonyms

5(((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)methyl)3(34dimethoxyphenyl)124oxadiazole
5((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanylmethyl)3(34dimethoxyphenyl)124oxadiazole
CN1C(=NN=C1SCC2=NC(=NO2)C3=CC(=C(C=C3)OC)OC)C4=CC5=C(C=C4)OCCCO5
InChI=1SC23H23N5O5Sc12822(15681719(1215)3210493117)252623(28)3413202421(273320)145716(292)18(1114)303h581112H491013H213H3
MFCD27220667
ZINC000021723291
ZINC21723291

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Available files

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