Vitas-M small molecule compound

4-[(5-benzyl-4-ethyl-4H-1,2,4-triazol-3-yl)sulfanyl]-3-nitrobenzaldehyde

Catalog ID
STL416233
SMILES O=Cc1ccc(c(c1)[N+](=O)[O-])Sc1nnc(n1CC)Cc1ccccc1

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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/c1-2-21-17(11-13-6-4-3-5-7-13)19-20-18(21)26-16-9-8-14(12-23)10-15(16)22(24)25/h3-10,12H,2,11H2,1H3
InChIKey
URUUYJXYXSIIJK-UHFFFAOYSA-N
Synonyms

4((5BENZYL4ETHYL124TRIAZOL3YL)SULFANYL)3NITROBENZALDEHYDE
4((5benzyl4ethyl4H124triazol3yl)sulfanyl)3nitrobenzaldehyde
CCN1C(=NN=C1SC2=C(C=C(C=C2)C=O)(N+)(=O)(O))CC3=CC=CC=C3
InChI=1SC18H16N4O3Sc122117(11136435713)192018(21)26169814(1223)1015(16)22(24)25h31012H211H21H3
MFCD05842878
O=Cc1ccc(c(c1)(N+)(=O)(O))Sc1nnc(n1CC)Cc1ccccc1
ZINC000002870504
ZINC02870504
ZINC2870504

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Available files

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