Vitas-M small molecule compound
2-{[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(furan-2-ylmethyl)acetamide
Catalog ID
STL406086
SMILES O=C(NCc1ccco1)CSc1nnc(n1c1ccccc1)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 C24H22N4O4S MW 462.53 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O4S/c29-22(25-15-19-8-4-11-30-19)16-33-24-27-26-23(28(24)18-6-2-1-3-7-18)17-9-10-20-21(14-17)32-13-5-12-31-20/h1-4,6-11,14H,5,12-13,15-16H2,(H,25,29)InChIKey
OBHJJSHYXJBVCJ-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4phenyl124triazol3yl)sulfanyl)N(furan2ylmethyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4phenyl4H124triazol3yl)sulfanyl)N(furan2ylmethyl)acetamide
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4=CC=CC=C4)SCC(=O)NCC5=CC=CO5)OC1
InChI=1SC24H22N4O4Sc2922(25151984113019)163324272623(28(24)186213718)179102021(1417)32135123120h1461114H512131516H2(H2529)
MFCD27221301
ZINC000064987317
ZINC64987317
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