Vitas-M small molecule compound
N-{[4-ethyl-5-({2-[(4-methoxy-2-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]methyl}-3-methylbenzamide
Catalog ID
STK118055
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1CC)CNC(=O)c1cccc(c1)C
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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)15-7-5-6-14(2)10-15)25-26-22(27)34-13-20(29)24-17-9-8-16(33-3)11-18(17)28(31)32/h5-11H,4,12-13H2,1-3H3,(H,23,30)(H,24,29)InChIKey
NTVQYVMFNFGYFV-UHFFFAOYSA-NSynonyms
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))CNC(=O)C3=CC(=CC=C3)C
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1CC)CNC(=O)c1cccc(c1)C
InChI=1SC22H24N6O5Sc142719(122321(30)1575614(2)1015)252622(27)341320(29)24179816(333)1118(17)28(31)32h511H41213H213H3(H2330)(H2429)
MFCD03996905
N((4ETHYL5((2((4METHOXY2NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
N((4ETHYL5(2(4METHOXY2NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)METHYL)3METHYLBENZAMIDE
ZINC000009305002
ZINC09305002
ZINC9305002
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