Vitas-M small molecule compound
4-({[5-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)-4-methyl-4H-1,2,4-triazol-3-yl]sulfanyl}methyl)benzonitrile
Catalog ID
STL406062
SMILES N#Cc1ccc(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 C20H18N4O2S MW 378.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18N4O2S/c1-24-19(16-7-8-17-18(11-16)26-10-2-9-25-17)22-23-20(24)27-13-15-5-3-14(12-21)4-6-15/h3-8,11H,2,9-10,13H2,1H3InChIKey
IXNSLGVMPRAYSF-UHFFFAOYSA-NSynonyms
4(((5(34dihydro2H15benzodioxepin7yl)4methyl4H124triazol3yl)sulfanyl)methyl)benzonitrile
4((5(34dihydro2H15benzodioxepin7yl)4methyl124triazol3yl)sulfanylmethyl)benzonitrile
CN1C(=NN=C1SCC2=CC=C(C=C2)C#N)C3=CC4=C(C=C3)OCCCO4
InChI=1SC20H18N4O2Sc12419(16781718(1116)2610292517)222320(24)2713155314(1221)4615h3811H291013H21H3
MFCD15078931
ZINC000015867244
ZINC15867244
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