Vitas-M small molecule compound

N-(4-fluoro-2-methylphenyl)-2-{[5-(4-methoxybenzyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetamide

Catalog ID
STK498150
SMILES COc1ccc(cc1)Cc1nnc([nH]1)SCC(=O)Nc1ccc(cc1C)F

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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 C19H19FN4O2S MW 386.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19FN4O2S/c1-12-9-14(20)5-8-16(12)21-18(25)11-27-19-22-17(23-24-19)10-13-3-6-15(26-2)7-4-13/h3-9H,10-11H2,1-2H3,(H,21,25)(H,22,23,24)
InChIKey
VTVOMMWKKZXZCH-UHFFFAOYSA-N
Synonyms

CC1=C(C=CC(=C1)F)NC(=O)CSC2=NNC(=N2)CC3=CC=C(C=C3)OC
COc1ccc(cc1)Cc1nnc((nH)1)SCC(=O)Nc1ccc(cc1C)F
InChI=1SC19H19FN4O2Sc112914(20)5816(12)2118(25)1127192217(232419)10133615(262)7413h39H1011H212H3(H2125)(H222324)
MFCD11855318
N(4fluoro2methylphenyl)2((5((4methoxyphenyl)methyl)1H124triazol3yl)sulfanyl)acetamide
N(4fluoro2methylphenyl)2((5(4methoxybenzyl)4H124triazol3yl)sulfanyl)acetamide
ZINC000032579582
ZINC32579582

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Available files

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