Vitas-M small molecule compound
3-{[2-(4-chlorophenoxy)ethyl]sulfanyl}-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazole
Catalog ID
STL406072
SMILES Clc1ccc(cc1)OCCSc1nnc(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 C20H20ClN3O3S MW 417.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H20ClN3O3S/c1-24-19(14-3-8-17-18(13-14)27-10-2-9-26-17)22-23-20(24)28-12-11-25-16-6-4-15(21)5-7-16/h3-8,13H,2,9-12H2,1H3InChIKey
OVQOZGPEVPUSFA-UHFFFAOYSA-NSynonyms
3((2(4chlorophenoxy)ethyl)sulfanyl)5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazole
3(2(4chlorophenoxy)ethylsulfanyl)5(34dihydro2H15benzodioxepin7yl)4methyl124triazole
CN1C(=NN=C1SCCOC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H20ClN3O3Sc12419(14381718(1314)2710292617)222320(24)28121125166415(21)5716h3813H2912H21H3
MFCD27220650
ZINC000021723253
ZINC21723253
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