Vitas-M small molecule compound
2-[4-ethyl-5-({2-[(4-methyl-3-nitrophenyl)amino]-2-oxoethyl}sulfanyl)-4H-1,2,4-triazol-3-yl]-N-phenylacetamide
Catalog ID
STK246048
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nnc1CC(=O)Nc1ccccc1
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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 C21H22N6O4S MW 454.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N6O4S/c1-3-26-18(12-19(28)22-15-7-5-4-6-8-15)24-25-21(26)32-13-20(29)23-16-10-9-14(2)17(11-16)27(30)31/h4-11H,3,12-13H2,1-2H3,(H,22,28)(H,23,29)InChIKey
IOBDRHCCOOEFPW-UHFFFAOYSA-NSynonyms
2(4ETHYL5((2((4METHYL3NITROPHENYL)AMINO)2OXOETHYL)SULFANYL)4H124TRIAZOL3YL)NPHENYLACETAMIDE
2(4ETHYL5((4METHYL3NITROPHENYLCARBAMOYL)METHYLSULFANYL)4H(124)TRIAZOL3YL)NPHENYLACETAMIDE
2(4ETHYL5(2(4METHYL3NITROANILINO)2OXOETHYL)SULFANYL124TRIAZOL3YL)NPHENYLACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)(N+)(=O)(O))CC(=O)NC3=CC=CC=C3
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))C)nnc1CC(=O)Nc1ccccc1
InChI=1SC21H22N6O4Sc132618(1219(28)22157546815)242521(26)321320(29)231610914(2)17(1116)27(30)31h411H31213H212H3(H2228)(H2329)
MFCD06628369
ZINC000002881364
ZINC02881364
ZINC2881364
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