Vitas-M small molecule compound
2-{[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(4-methylbenzyl)acetamide
Catalog ID
STK987472
SMILES O=C(NCc1ccc(cc1)C)CSc1nnc(n1N)c1cccc(c1)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 C18H18FN5OS MW 371.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H18FN5OS/c1-12-5-7-13(8-6-12)10-21-16(25)11-26-18-23-22-17(24(18)20)14-3-2-4-15(19)9-14/h2-9H,10-11,20H2,1H3,(H,21,25)InChIKey
MMAWWBXJOXBJGI-UHFFFAOYSA-NSynonyms
2((4amino5(3fluorophenyl)124triazol3yl)sulfanyl)N((4methylphenyl)methyl)acetamide
2((4amino5(3fluorophenyl)4H124triazol3yl)sulfanyl)N(4methylbenzyl)acetamide
CC1=CC=C(C=C1)CNC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F
InChI=1SC18H18FN5OSc1125713(8612)102116(25)112618232217(24(18)20)1432415(19)914h29H101120H21H3(H2125)
MFCD18184229
ZINC000009800335
ZINC09800335
ZINC9800335
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