Vitas-M small molecule compound
2-({5-[(2,6-dimethylphenoxy)methyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(4-methyl-3-nitrophenyl)acetamide
Catalog ID
STK219099
SMILES CCn1c(SCC(=O)Nc2ccc(c(c2)[N+](=O)[O-])C)nnc1COc1c(C)cccc1C
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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 C22H25N5O4S MW 455.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H25N5O4S/c1-5-26-19(12-31-21-15(3)7-6-8-16(21)4)24-25-22(26)32-13-20(28)23-17-10-9-14(2)18(11-17)27(29)30/h6-11H,5,12-13H2,1-4H3,(H,23,28)InChIKey
UNZJKKAGZKAZGU-UHFFFAOYSA-NSynonyms
2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
2((5((26DIMETHYLPHENOXY)METHYL)4ETHYL4H124TRIAZOL3YL)SULFANYL)N(4METHYL3NITROPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC(=O)NC2=CC(=C(C=C2)C)(N+)(=O)(O))COC3=C(C=CC=C3C)C
CCn1c(SCC(=O)Nc2ccc(c(c2)(N+)(=O)(O))C)nnc1COc1c(C)cccc1C
InChI=1SC22H25N5O4Sc152619(12312115(3)76816(21)4)242522(26)321320(28)231710914(2)18(1117)27(29)30h611H51213H214H3(H2328)
MFCD06006937
ZINC000001064567
ZINC01064567
ZINC1064567
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