Vitas-M small molecule compound
3-{[2-(4-chloro-3-methylphenoxy)ethyl]sulfanyl}-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazole
Catalog ID
STL406074
SMILES Cn1c(SCCOc2ccc(c(c2)C)Cl)nnc1c1ccc2c(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 C21H22ClN3O3S MW 431.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O3S/c1-14-12-16(5-6-17(14)22)26-10-11-29-21-24-23-20(25(21)2)15-4-7-18-19(13-15)28-9-3-8-27-18/h4-7,12-13H,3,8-11H2,1-2H3InChIKey
WJEIDMUUVJJCRS-UHFFFAOYSA-NSynonyms
3((2(4chloro3methylphenoxy)ethyl)sulfanyl)5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazole
3(2(4chloro3methylphenoxy)ethylsulfanyl)5(34dihydro2H15benzodioxepin7yl)4methyl124triazole
CC1=C(C=CC(=C1)OCCSC2=NN=C(N2C)C3=CC4=C(C=C3)OCCCO4)Cl
InChI=1SC21H22ClN3O3Sc1141216(5617(14)22)2610112921242320(25(21)2)15471819(1315)289382718h471213H3811H212H3
MFCD27220649
ZINC000021723250
ZINC21723250
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