Vitas-M small molecule compound
N-[4-(azepan-1-ylsulfonyl)phenyl]-2-(1H-1,2,3-triazol-5-ylsulfanyl)acetamide
Catalog ID
STL373756
SMILES O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)CSc1cnn[nH]1
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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 C16H21N5O3S2 MW 395.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21N5O3S2/c22-15(12-25-16-11-17-20-19-16)18-13-5-7-14(8-6-13)26(23,24)21-9-3-1-2-4-10-21/h5-8,11H,1-4,9-10,12H2,(H,18,22)(H,17,19,20)InChIKey
KEHMLGRUEUBMGB-UHFFFAOYSA-NSynonyms
C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)NC(=O)CSC3=NNN=C3
InChI=1SC16H21N5O3S2c2215(1225161117201916)18135714(8613)26(2324)21931241021h5811H1491012H2(H1822)(H171920)
MFCD28165785
N(4(azepan1ylsulfonyl)phenyl)2(1H123triazol5ylsulfanyl)acetamide
N(4(azepan1ylsulfonyl)phenyl)2(2Htriazol4ylsulfanyl)acetamide
O=C(Nc1ccc(cc1)S(=O)(=O)N1CCCCCC1)CSc1cnn(nH)1
ZINC000098086787
ZINC98086787
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