Vitas-M small molecule compound
2-[(5-{2-[(2-chlorophenyl)amino]-2-oxoethyl}-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methyl-3-nitrophenyl)acetamide
Catalog ID
STK235870
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nnc1CC(=O)Nc1ccccc1Cl
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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 C21H21ClN6O4S MW 488.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H21ClN6O4S/c1-3-27-18(11-19(29)24-16-7-5-4-6-15(16)22)25-26-21(27)33-12-20(30)23-14-9-8-13(2)17(10-14)28(31)32/h4-10H,3,11-12H2,1-2H3,(H,23,30)(H,24,29)InChIKey
CZJDCMDGQQQEHR-UHFFFAOYSA-NSynonyms
2((5(2((2CHLOROPHENYL)AMINO)2OXOETHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)(N+)(=O)(O))CC(=O)NC3=CC=CC=C3Cl
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))C)nnc1CC(=O)Nc1ccccc1Cl
InChI=1SC21H21ClN6O4Sc132718(1119(29)2416754615(16)22)252621(27)331220(30)23149813(2)17(1014)28(31)32h410H31112H212H3(H2330)(H2429)
MFCD07357877
N(2CHLOROPHENYL)2(4ETHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)ACETAMIDE
ZINC000009190128
ZINC09190128
ZINC9190128
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