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}-N-(furan-2-ylmethyl)acetamide
Catalog ID
STL415929
SMILES O=C(NCc1ccco1)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 C21H24N4O4S MW 428.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H24N4O4S/c1-14(2)25-20(15-6-7-17-18(11-15)29-10-4-9-28-17)23-24-21(25)30-13-19(26)22-12-16-5-3-8-27-16/h3,5-8,11,14H,4,9-10,12-13H2,1-2H3,(H,22,26)InChIKey
ZQKWVGOEXJFDNK-UHFFFAOYSA-NSynonyms
2((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)N(furan2ylmethyl)acetamide
2((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanyl)N(furan2ylmethyl)acetamide
CC(C)N1C(=NN=C1SCC(=O)NCC2=CC=CO2)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H24N4O4Sc114(2)2520(15671718(1115)2910492817)232421(25)301319(26)2212165382716h3581114H49101213H212H3(H2226)
MFCD15078965
ZINC000033087540
ZINC33087540
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