Vitas-M small molecule compound
2-ethoxy-4-[(E)-(4H-1,2,4-triazol-4-ylimino)methyl]phenyl 3-nitrobenzoate
Catalog ID
STK385614
SMILES CCOc1cc(ccc1OC(=O)c1cccc(c1)[N+](=O)[O-])/C=N/n1cnnc1
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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 C18H15N5O5 MW 381.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H15N5O5/c1-2-27-17-8-13(10-21-22-11-19-20-12-22)6-7-16(17)28-18(24)14-4-3-5-15(9-14)23(25)26/h3-12H,2H2,1H3/b21-10+InChIKey
UPRJRIMOUHFTKA-UFFVCSGVSA-NSynonyms
(2ETHOXY4((E)124TRIAZOL4YLIMINOMETHYL)PHENYL)3NITROBENZOATE
2ETHOXY4((4H124TRIAZOL4YLIMINO)METHYL)PHENYL3NITROBENZOATE
2ETHOXY4((E)(4H124TRIAZOL4YLIMINO)METHYL)PHENYL3NITROBENZOATE
4((1E)2(124TRIAZOL4YL)2AZAVINYL)2ETHOXYPHENYL3NITROBENZOATE
CCOC1=C(C=CC(=C1)C=NN2C=NN=C2)OC(=O)C3=CC(=CC=C3)(N+)(=O)(O)
CCOc1cc(ccc1OC(=O)c1cccc(c1)(N+)(=O)(O))C=Nn1cnnc1
InChI=1SC18H15N5O5c122717813(1021221119201222)6716(17)2818(24)1443515(914)23(25)26h312H2H21H3b2110+
MFCD02125248
ZINC000002970488
ZINC33398343
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