Vitas-M small molecule compound

2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-cyclohexyl-N-methylacetamide

Catalog ID
STK987491
SMILES Fc1cccc(c1)c1nnc(n1N)SCC(=O)N(C1CCCCC1)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 C17H22FN5OS MW 363.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C17H22FN5OS/c1-22(14-8-3-2-4-9-14)15(24)11-25-17-21-20-16(23(17)19)12-6-5-7-13(18)10-12/h5-7,10,14H,2-4,8-9,11,19H2,1H3
InChIKey
LDARNNSKZHGCLG-UHFFFAOYSA-N
Synonyms
849761-71-3
2((4AMINO5(3FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)NCYCLOHEXYLNMETHYLACETAMIDE
2((4amino5(3fluorophenyl)4H124triazol3yl)sulfanyl)NcyclohexylNmethylacetamide
849761713
CN(C1CCCCC1)C(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F
InChI=1SC17H22FN5OSc122(148324914)15(24)112517212016(23(17)19)1265713(18)1012h571014H24891119H21H3
MFCD07356598
ZINC000006852856
ZINC06852856
ZINC6852856

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.