Vitas-M small molecule compound
2-{[5-(furan-2-yl)-4-phenyl-4H-1,2,4-triazol-3-yl]sulfanyl}-N-[(8-methyl-3,4-dihydro-2H-1,5-benzodioxepin-7-yl)methyl]acetamide
Catalog ID
STL406158
SMILES O=C(NCc1cc2OCCCOc2cc1C)CSc1nnc(n1c1ccccc1)c1ccco1
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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 C25H24N4O4S MW 476.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O4S/c1-17-13-21-22(33-12-6-11-32-21)14-18(17)15-26-23(30)16-34-25-28-27-24(20-9-5-10-31-20)29(25)19-7-3-2-4-8-19/h2-5,7-10,13-14H,6,11-12,15-16H2,1H3,(H,26,30)InChIKey
JJFUKUVRONEPSU-UHFFFAOYSA-NSynonyms
2((5(furan2yl)4phenyl124triazol3yl)sulfanyl)N((8methyl34dihydro2H15benzodioxepin7yl)methyl)acetamide
2((5(furan2yl)4phenyl4H124triazol3yl)sulfanyl)N((8methyl34dihydro2H15benzodioxepin7yl)methyl)acetamide
CC1=CC2=C(C=C1CNC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CO5)OCCCO2
InChI=1SC25H24N4O4Sc117132122(33126113221)1418(17)152623(30)163425282724(2095103120)29(25)197324819h257101314H611121516H21H3(H2630)
MFCD27221181
ZINC000064987194
ZINC64987194
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