Vitas-M small molecule compound
4-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL406117
SMILES N#Cc1ccc(cc1)CSc1nnc(n1CC)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 C21H20N4O2S MW 392.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H20N4O2S/c1-2-25-20(17-8-9-18-19(12-17)27-11-3-10-26-18)23-24-21(25)28-14-16-6-4-15(13-22)5-7-16/h4-9,12H,2-3,10-11,14H2,1H3InChIKey
XFEVSGRMUJOSTI-UHFFFAOYSA-NSynonyms
4(((5(34dihydro2H15benzodioxepin7yl)4ethyl4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((5(34dihydro2H15benzodioxepin7yl)4ethyl124triazol3yl)sulfanylmethyl)benzonitrile
CCN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCCO4
InChI=1SC21H20N4O2Sc122520(17891819(1217)27113102618)232421(25)2814166415(1322)5716h4912H23101114H21H3
MFCD15078957
ZINC000015867246
ZINC15867246
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