Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
Catalog ID
STL406076
SMILES Cn1c(SCC(=O)c2ccc3c(c2)CCCO3)nnc1c1ccc2c(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 C23H23N3O4S MW 437.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H23N3O4S/c1-26-22(17-6-8-20-21(13-17)30-11-3-10-29-20)24-25-23(26)31-14-18(27)15-5-7-19-16(12-15)4-2-9-28-19/h5-8,12-13H,2-4,9-11,14H2,1H3InChIKey
QBNXGHKELVUPCE-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanyl)1(34dihydro2Hchromen6yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)1(34dihydro2Hchromen6yl)ethanone
CN1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCC3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC23H23N3O4Sc12622(17682021(1317)30113102920)242523(26)311418(27)15571916(1215)4292819h581213H2491114H21H3
MFCD27220639
ZINC000021723234
ZINC21723234
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