Vitas-M small molecule compound
2-{4-ethyl-5-[(4-nitrobenzyl)sulfanyl]-4H-1,2,4-triazol-3-yl}-N-(3-methoxyphenyl)acetamide
Catalog ID
STK245597
SMILES COc1cccc(c1)NC(=O)Cc1nnc(n1CC)SCc1ccc(cc1)[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)21-15-5-4-6-17(11-15)29-2)22-23-20(24)30-13-14-7-9-16(10-8-14)25(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,26)InChIKey
SOLZEMYGWZQPHB-UHFFFAOYSA-NSynonyms
2(4ETHYL5((4NITROBENZYL)SULFANYL)4H124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
2(4ETHYL5((4NITROPHENYL)METHYLSULFANYL)124TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
2(4ETHYL5(4NITROBENZYLSULFANYL)4H(124)TRIAZOL3YL)N(3METHOXYPHENYL)ACETAMIDE
CCN1C(=NN=C1SCC2=CC=C(C=C2)(N+)(=O)(O))CC(=O)NC3=CC(=CC=C3)OC
COc1cccc(c1)NC(=O)Cc1nnc(n1CC)SCc1ccc(cc1)(N+)(=O)(O)
InChI=1SC20H21N5O4Sc132418(1219(26)211554617(1115)292)222320(24)3013147916(10814)25(27)28h411H31213H212H3(H2126)
MFCD08670214
ZINC000009327599
ZINC09327599
ZINC9327599
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