Vitas-M small molecule compound
2-{4-ethyl-5-[(2-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(4-methoxyphenyl)acetamide
Catalog ID
STK246104
SMILES COc1ccc(cc1)NC(=O)Cc1nnc(n1CC)SCc1ccccc1[N+](=O)[O-]
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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(12-19(26)21-15-8-10-16(29-2)11-9-15)22-23-20(24)30-13-14-6-4-5-7-17(14)25(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,26)InChIKey
SWRHVZKVHHCYFM-UHFFFAOYSA-NSynonyms
2(4ethyl5((2nitrobenzyl)sulfanyl)4H124triazol3yl)N(4methoxyphenyl)acetamide
2(4ethyl5((2nitrophenyl)methylsulfanyl)124triazol3yl)N(4methoxyphenyl)acetamide
2(4ETHYL5(2NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)N(4METHOXYPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC2=CC=CC=C2(N+)(=O)(O))CC(=O)NC3=CC=C(C=C3)OC
COc1ccc(cc1)NC(=O)Cc1nnc(n1CC)SCc1ccccc1(N+)(=O)(O)
InChI=1SC20H21N5O4Sc132418(1219(26)211581016(292)11915)222320(24)301314645717(14)25(27)28h411H31213H212H3(H2126)
MFCD08683284
ZINC000009328786
ZINC09328786
ZINC9328786
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