Vitas-M small molecule compound

ethyl 2-[({[4-amino-5-(3-fluorophenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}acetyl)amino]benzoate

Catalog ID
STK987483
SMILES CCOC(=O)c1ccccc1NC(=O)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 C19H18FN5O3S MW 415.45 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H18FN5O3S/c1-2-28-18(27)14-8-3-4-9-15(14)22-16(26)11-29-19-24-23-17(25(19)21)12-6-5-7-13(20)10-12/h3-10H,2,11,21H2,1H3,(H,22,26)
InChIKey
FQSNWQOUIFCKHW-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1NC(=O)CSC2=NN=C(N2N)C3=CC(=CC=C3)F
ethyl2((((4amino5(3fluorophenyl)4H124triazol3yl)sulfanyl)acetyl)amino)benzoate
ETHYL2((2((4AMINO5(3FLUOROPHENYL)124TRIAZOL3YL)SULFANYL)ACETYL)AMINO)BENZOATE
InChI=1SC19H18FN5O3Sc122818(27)14834915(14)2216(26)112919242317(25(19)21)1265713(20)1012h310H21121H21H3(H2226)
MFCD18184240
ZINC000004877499
ZINC04877499
ZINC4877499

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Available files

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