Vitas-M small molecule compound
2-[(5-ethyl-4-phenyl-4H-1,2,4-triazol-3-yl)sulfanyl]-1-(3-nitrophenyl)ethanone
Catalog ID
STK245913
SMILES CCc1nnc(n1c1ccccc1)SCC(=O)c1cccc(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 C18H16N4O3S MW 368.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H16N4O3S/c1-2-17-19-20-18(21(17)14-8-4-3-5-9-14)26-12-16(23)13-7-6-10-15(11-13)22(24)25/h3-11H,2,12H2,1H3InChIKey
INYJFUQNNPFVNV-UHFFFAOYSA-NSynonyms
2((5ethyl4phenyl124triazol3yl)sulfanyl)1(3nitrophenyl)ethanone
2((5ETHYL4PHENYL4H124TRIAZOL3YL)SULFANYL)1(3NITROPHENYL)ETHANONE
2(5ETHYL4PHENYL4H(124)TRIAZOL3YLSULFANYL)1(3NITROPHENYL)ETHANONE
CCC1=NN=C(N1C2=CC=CC=C2)SCC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCc1nnc(n1c1ccccc1)SCC(=O)c1cccc(c1)(N+)(=O)(O)
InChI=1SC18H16N4O3Sc1217192018(21(17)148435914)261216(23)13761015(1113)22(24)25h311H212H21H3
MFCD08670695
ZINC000009264995
ZINC09264995
ZINC9264995
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