Vitas-M small molecule compound
3-[(4-chlorobenzyl)sulfanyl]-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazole
Catalog ID
STL406065
SMILES Clc1ccc(cc1)CSc1nnc(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 C19H18ClN3O2S MW 387.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18ClN3O2S/c1-23-18(14-5-8-16-17(11-14)25-10-2-9-24-16)21-22-19(23)26-12-13-3-6-15(20)7-4-13/h3-8,11H,2,9-10,12H2,1H3InChIKey
MKYNPPCJLYAAHH-UHFFFAOYSA-NSynonyms
3((4chlorobenzyl)sulfanyl)5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazole
3((4chlorophenyl)methylsulfanyl)5(34dihydro2H15benzodioxepin7yl)4methyl124triazole
CN1C(=NN=C1SCC2=CC=C(C=C2)Cl)C3=CC4=C(C=C3)OCCCO4
InChI=1SC19H18ClN3O2Sc12318(14581617(1114)2510292416)212219(23)2612133615(20)7413h3811H291012H21H3
MFCD27220654
ZINC000021723266
ZINC21723266
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