Vitas-M small molecule compound
3-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-5-{[2-(2-methoxyphenoxy)ethyl]sulfanyl}-4-methyl-4H-1,2,4-triazole
Catalog ID
STL406071
SMILES COc1ccccc1OCCSc1nnc(n1C)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 C21H23N3O4S MW 413.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H23N3O4S/c1-24-20(15-8-9-18-19(14-15)27-11-5-10-26-18)22-23-21(24)29-13-12-28-17-7-4-3-6-16(17)25-2/h3-4,6-9,14H,5,10-13H2,1-2H3InChIKey
WPVMOXFKVRIHIB-UHFFFAOYSA-NSynonyms
3(34dihydro2H15benzodioxepin7yl)5((2(2methoxyphenoxy)ethyl)sulfanyl)4methyl4H124triazole
3(34dihydro2H15benzodioxepin7yl)5(2(2methoxyphenoxy)ethylsulfanyl)4methyl124triazole
CN1C(=NN=C1SCCOC2=CC=CC=C2OC)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H23N3O4Sc12420(15891819(1415)27115102618)222321(24)2913122817743616(17)252h346914H51013H212H3
MFCD27220651
ZINC000021723256
ZINC21723256
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