Vitas-M small molecule compound
2-{[4-ethyl-5-(4-methylphenyl)-4H-1,2,4-triazol-3-yl]sulfanyl}-N-(2-methyl-4-nitrophenyl)acetamide
Catalog ID
STK116429
SMILES CCn1c(SCC(=O)Nc2ccc(cc2C)[N+](=O)[O-])nnc1c1ccc(cc1)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 C20H21N5O3S MW 411.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O3S/c1-4-24-19(15-7-5-13(2)6-8-15)22-23-20(24)29-12-18(26)21-17-10-9-16(25(27)28)11-14(17)3/h5-11H,4,12H2,1-3H3,(H,21,26)InChIKey
ACEJNRGDMFYHDA-UHFFFAOYSA-NSynonyms
2((4ETHYL5(4METHYLPHENYL)124TRIAZOL3YL)SULFANYL)N(2METHYL4NITROPHENYL)ACETAMIDE
2((4ETHYL5(4METHYLPHENYL)4H124TRIAZOL3YL)SULFANYL)N(2METHYL4NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)(N+)(=O)(O))C)C3=CC=C(C=C3)C
CCn1c(SCC(=O)Nc2ccc(cc2C)(N+)(=O)(O))nnc1c1ccc(cc1)C
InChI=1SC20H21N5O3Sc142419(157513(2)6815)222320(24)291218(26)211710916(25(27)28)1114(17)3h511H412H213H3(H2126)
MFCD03996913
ZINC000004690791
ZINC04690791
ZINC4690791
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