Vitas-M small molecule compound

N-{[4-ethyl-5-({2-oxo-2-[(2,4,5-trichlorophenyl)amino]ethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-4-fluorobenzamide

Catalog ID
STL122246
SMILES CCn1c(SCC(=O)Nc2cc(Cl)c(cc2Cl)Cl)nnc1CNC(=O)c1ccc(cc1)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 C20H17Cl3FN5O2S MW 516.81 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H17Cl3FN5O2S/c1-2-29-17(9-25-19(31)11-3-5-12(24)6-4-11)27-28-20(29)32-10-18(30)26-16-8-14(22)13(21)7-15(16)23/h3-8H,2,9-10H2,1H3,(H,25,31)(H,26,30)
InChIKey
OQIVAYZTMNWTGC-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2Cl)Cl)Cl)CNC(=O)C3=CC=C(C=C3)F
InChI=1SC20H17Cl3FN5O2Sc122917(92519(31)113512(24)6411)272820(29)321018(30)2616814(22)13(21)715(16)23h38H2910H21H3(H2531)(H2630)
MFCD04378799
N((4ethyl5((2oxo2((245trichlorophenyl)amino)ethyl)sulfanyl)4H124triazol3yl)methyl)4fluorobenzamide
N((4ETHYL5(2OXO2(245TRICHLOROANILINO)ETHYL)SULFANYL124TRIAZOL3YL)METHYL)4FLUOROBENZAMIDE
ZINC000002861609
ZINC02861609
ZINC2861609

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Available files

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