Vitas-M small molecule compound
3-(benzylsulfanyl)-4-cyclopropyl-5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4H-1,2,4-triazole
Catalog ID
STL406199
SMILES c1ccc(cc1)CSc1nnc(n1C1CC1)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 C21H21N3O2S MW 379.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21N3O2S/c1-2-5-15(6-3-1)14-27-21-23-22-20(24(21)17-8-9-17)16-7-10-18-19(13-16)26-12-4-11-25-18/h1-3,5-7,10,13,17H,4,8-9,11-12,14H2InChIKey
ATQQAHGHOOJJLL-UHFFFAOYSA-NSynonyms
3(benzylsulfanyl)4cyclopropyl5(34dihydro2H15benzodioxepin7yl)4H124triazole
3benzylsulfanyl4cyclopropyl5(34dihydro2H15benzodioxepin7yl)124triazole
C1COC2=C(C=C(C=C2)C3=NN=C(N3C4CC4)SCC5=CC=CC=C5)OC1
InChI=1SC21H21N3O2Sc12515(631)142721232220(24(21)178917)167101819(1316)26124112518h1357101317H489111214H2
MFCD27221069
ZINC000064987157
ZINC64987157
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