Vitas-M small molecule compound

N-{[4-ethyl-5-({2-[(2-methoxy-5-methylphenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-nitrobenzamide

Catalog ID
STL426437
SMILES CCn1c(CNC(=O)c2cccc(c2)[N+](=O)[O-])nnc1SCC(=O)Nc1cc(C)ccc1OC

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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 C22H24N6O5S MW 484.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H24N6O5S/c1-4-27-19(12-23-21(30)15-6-5-7-16(11-15)28(31)32)25-26-22(27)34-13-20(29)24-17-10-14(2)8-9-18(17)33-3/h5-11H,4,12-13H2,1-3H3,(H,23,30)(H,24,29)
InChIKey
KZJKOEDOGURIJJ-UHFFFAOYSA-N
Synonyms

CCN1C(=NN=C1SCC(=O)NC2=C(C=CC(=C2)C)OC)CNC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCn1c(CNC(=O)c2cccc(c2)(N+)(=O)(O))nnc1SCC(=O)Nc1cc(C)ccc1OC
InChI=1SC22H24N6O5Sc142719(122321(30)1565716(1115)28(31)32)252622(27)341320(29)24171014(2)8918(17)333h511H41213H213H3(H2330)(H2429)
MFCD03998302
N((4ethyl5((2((2methoxy5methylphenyl)amino)2oxoethyl)sulfanyl)4H124triazol3yl)methyl)3nitrobenzamide
N((4ETHYL5(2(2METHOXY5METHYLANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)3NITROBENZAMIDE
ZINC000002838478
ZINC02838478
ZINC2838478

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Available files

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