Vitas-M small molecule compound
N-[1-(3,4-dihydro-2H-1,5-benzodioxepin-7-yl)ethyl]-2-{[4-phenyl-5-(thiophen-2-yl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide
Catalog ID
STL406704
SMILES O=C(NC(c1ccc2c(c1)OCCCO2)C)CSc1nnc(n1c1ccccc1)c1cccs1
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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 C25H24N4O3S2 MW 492.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O3S2/c1-17(18-10-11-20-21(15-18)32-13-6-12-31-20)26-23(30)16-34-25-28-27-24(22-9-5-14-33-22)29(25)19-7-3-2-4-8-19/h2-5,7-11,14-15,17H,6,12-13,16H2,1H3,(H,26,30)InChIKey
KUPLGSCPURZQIB-UHFFFAOYSA-NSynonyms
CC(C1=CC2=C(C=C1)OCCCO2)NC(=O)CSC3=NN=C(N3C4=CC=CC=C4)C5=CC=CS5
InChI=1SC25H24N4O3S2c117(1810112021(1518)32136123120)2623(30)163425282724(2295143322)29(25)197324819h25711141517H6121316H21H3(H2630)
MFCD27220978
N(1(34dihydro2H15benzodioxepin7yl)ethyl)2((4phenyl5(thiophen2yl)4H124triazol3yl)sulfanyl)acetamide
N(1(34dihydro2H15benzodioxepin7yl)ethyl)2((4phenyl5thiophen2yl124triazol3yl)sulfanyl)acetamide
ZINC000009028417
ZINC000009028422
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