Vitas-M small molecule compound

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

Catalog ID
STK261052
SMILES O=C(Nc1cc(ccc1Cl)[N+](=O)[O-])CSc1nnc(n1C)CCNC(=O)c1ccccc1F

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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 C20H18ClFN6O4S MW 492.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H18ClFN6O4S/c1-27-17(8-9-23-19(30)13-4-2-3-5-15(13)22)25-26-20(27)33-11-18(29)24-16-10-12(28(31)32)6-7-14(16)21/h2-7,10H,8-9,11H2,1H3,(H,23,30)(H,24,29)
InChIKey
UQYOIHPTWCWDQG-UHFFFAOYSA-N
Synonyms

CN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)(N+)(=O)(O))Cl)CCNC(=O)C3=CC=CC=C3F
InChI=1SC20H18ClFN6O4Sc12717(892319(30)13423515(13)22)252620(27)331118(29)24161012(28(31)32)6714(16)21h2710H8911H21H3(H2330)(H2429)
MFCD08670097
N(2(5((2((2CHLORO5NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4METHYL4H124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5((2CHLORO5NITROPHENYLCARBAMOYL)METHYLSULFANYL)4METHYL4H(124)TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
N(2(5(2(2CHLORO5NITROANILINO)2OXOETHYL)SULFANYL4METHYL124TRIAZOL3YL)ETHYL)2FLUOROBENZAMIDE
O=C(Nc1cc(ccc1Cl)(N+)(=O)(O))CSc1nnc(n1C)CCNC(=O)c1ccccc1F
ZINC000009426746
ZINC09426746
ZINC9426746

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Available files

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