Vitas-M small molecule compound
2-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-N-(4-methoxy-2-nitrophenyl)acetamide
Catalog ID
STL416247
SMILES COc1ccc(c(c1)[N+](=O)[O-])NC(=O)CSc1nnc(n1CC)Cc1ccccc1
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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 C20H21N5O4S MW 427.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21N5O4S/c1-3-24-18(11-14-7-5-4-6-8-14)22-23-20(24)30-13-19(26)21-16-10-9-15(29-2)12-17(16)25(27)28/h4-10,12H,3,11,13H2,1-2H3,(H,21,26)InChIKey
AVVZHCDBCCIGJC-UHFFFAOYSA-NSynonyms
2((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)N(4METHOXY2NITROPHENYL)ACETAMIDE
2((5benzyl4ethyl4H124triazol3yl)sulfanyl)N(4methoxy2nitrophenyl)acetamide
CCN1C(=NN=C1SCC(=O)NC2=C(C=C(C=C2)OC)(N+)(=O)(O))CC3=CC=CC=C3
COc1ccc(c(c1)(N+)(=O)(O))NC(=O)CSc1nnc(n1CC)Cc1ccccc1
InChI=1SC20H21N5O4Sc132418(11147546814)222320(24)301319(26)211610915(292)1217(16)25(27)28h41012H31113H212H3(H2126)
MFCD02588258
ZINC000009664217
ZINC09664217
ZINC9664217
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