Vitas-M small molecule compound
2-({5-[(4-ethylphenoxy)methyl]-4-methyl-4H-1,2,4-triazol-3-yl}sulfanyl)-N-(3-nitrophenyl)acetamide
Catalog ID
STK401404
SMILES CCc1ccc(cc1)OCc1nnc(n1C)SCC(=O)Nc1cccc(c1)[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/c1-3-14-7-9-17(10-8-14)29-12-18-22-23-20(24(18)2)30-13-19(26)21-15-5-4-6-16(11-15)25(27)28/h4-11H,3,12-13H2,1-2H3,(H,21,26)InChIKey
IBIZZKCUNSSYTL-UHFFFAOYSA-NSynonyms
2((5((4ethylphenoxy)methyl)4methyl124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2((5((4ethylphenoxy)methyl)4methyl4H124triazol3yl)sulfanyl)N(3nitrophenyl)acetamide
2(5((4ETHYLPHENOXY)METHYL)4METHYL(124TRIAZOL3YLTHIO))N(3NITROPHENYL)ACETAMIDE
CCC1=CC=C(C=C1)OCC2=NN=C(N2C)SCC(=O)NC3=CC(=CC=C3)(N+)(=O)(O)
CCc1ccc(cc1)OCc1nnc(n1C)SCC(=O)Nc1cccc(c1)(N+)(=O)(O)
InChI=1SC20H21N5O4Sc13147917(10814)291218222320(24(18)2)301319(26)211554616(1115)25(27)28h411H31213H212H3(H2126)
MFCD07122982
ZINC000017095389
ZINC17095389
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