Vitas-M small molecule compound
4-chloro-N-[1-(4-ethyl-5-sulfanyl-4H-1,2,4-triazol-3-yl)-3-methylbutyl]benzamide
Catalog ID
STK123033
SMILES CCn1c(S)nnc1C(NC(=O)c1ccc(cc1)Cl)CC(C)C
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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 C16H21ClN4OS MW 352.89 g/mol Purity >90% as per NMR
InChI
InChI=1S/C16H21ClN4OS/c1-4-21-14(19-20-16(21)23)13(9-10(2)3)18-15(22)11-5-7-12(17)8-6-11/h5-8,10,13H,4,9H2,1-3H3,(H,18,22)(H,20,23)InChIKey
YRQTZBIBMOHZRX-UHFFFAOYSA-NSynonyms
4CHLORON((1R)1(4ETHYL5THIOXO45DIHYDRO1H124TRIAZOL3YL)3METHYLBUTYL)BENZAMIDE
4CHLORON(1(4ETHYL5MERCAPTO4H(124)TRIAZOL3YL)3METHYLBUTYL)BENZAMIDE
4CHLORON(1(4ETHYL5SULFANYL4H124TRIAZOL3YL)3METHYLBUTYL)BENZAMIDE
4CHLORON(1(4ETHYL5SULFANYLIDENE1H124TRIAZOL3YL)3METHYLBUTYL)BENZAMIDE
CCN1C(=NNC1=S)C(CC(C)C)NC(=O)C2=CC=C(C=C2)Cl
InChI=1SC16H21ClN4OSc142114(192016(21)23)13(910(2)3)1815(22)115712(17)8611h581013H49H213H3(H1822)(H2023)
MFCD04212186
ZINC000004699115
ZINC000005557434
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