Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3,4-dihydro-2H-chromen-6-yl)ethanone
Catalog ID
STL415831
SMILES O=C(c1ccc2c(c1)CCCO2)CSc1nnc(n1C(C)C)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 C25H27N3O4S MW 465.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H27N3O4S/c1-16(2)28-24(19-7-9-22-23(14-19)32-12-4-11-31-22)26-27-25(28)33-15-20(29)17-6-8-21-18(13-17)5-3-10-30-21/h6-9,13-14,16H,3-5,10-12,15H2,1-2H3InChIKey
ZJXHCVQXLGNTLW-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)1(34dihydro2Hchromen6yl)ethanone
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)1(34dihydro2Hchromen6yl)ethanone
CC(C)N1C(=NN=C1SCC(=O)C2=CC3=C(C=C2)OCCC3)C4=CC5=C(C=C4)OCCCO5
InChI=1SC25H27N3O4Sc116(2)2824(19792223(1419)32124113122)262725(28)331520(29)17682118(1317)53103021h69131416H35101215H212H3
MFCD27220699
ZINC000035511640
ZINC35511640
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