Vitas-M small molecule compound
4-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-(propan-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL367858
SMILES N#Cc1ccc(cc1)CSc1nnc(n1C(C)C)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 C22H22N4O2S MW 406.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H22N4O2S/c1-15(2)26-21(18-8-9-19-20(12-18)28-11-3-10-27-19)24-25-22(26)29-14-17-6-4-16(13-23)5-7-17/h4-9,12,15H,3,10-11,14H2,1-2H3InChIKey
PDLQFXSHZBFSIK-UHFFFAOYSA-NSynonyms
4(((5(34dihydro2H15benzodioxepin7yl)4(propan2yl)4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((5(34dihydro2H15benzodioxepin7yl)4propan2yl124triazol3yl)sulfanylmethyl)benzonitrile
CC(C)N1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCCO4
InChI=1SC22H22N4O2Sc115(2)2621(18891920(1218)28113102719)242522(26)2914176416(1323)5717h491215H3101114H212H3
MFCD28951956
ZINC000098086377
ZINC98086377
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