Vitas-M small molecule compound
2-{[5-(1-benzofuran-2-yl)-4-ethyl-4H-1,2,4-triazol-3-yl]sulfanyl}-1-(3-nitrophenyl)ethanone
Catalog ID
STK251248
SMILES CCn1c(SCC(=O)c2cccc(c2)[N+](=O)[O-])nnc1c1cc2c(o1)cccc2
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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 C20H16N4O4S MW 408.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H16N4O4S/c1-2-23-19(18-11-14-6-3-4-9-17(14)28-18)21-22-20(23)29-12-16(25)13-7-5-8-15(10-13)24(26)27/h3-11H,2,12H2,1H3InChIKey
OMSBEBZIDORIAT-UHFFFAOYSA-NSynonyms
2((5(1BENZOFURAN2YL)4ETHYL124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2((5(1BENZOFURAN2YL)4ETHYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2(5BENZOFURAN2YL4ETHYL4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
CCN1C(=NN=C1SCC(=O)C2=CC(=CC=C2)(N+)(=O)(O))C3=CC4=CC=CC=C4O3
CCn1c(SCC(=O)c2cccc(c2)(N+)(=O)(O))nnc1c1cc2c(o1)cccc2
InChI=1SC20H16N4O4Sc122319(181114634917(14)2818)212220(23)291216(25)1375815(1013)24(26)27h311H212H21H3
MFCD08670202
ZINC000009698978
ZINC09698978
ZINC9698978
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