Vitas-M small molecule compound
butyl 4-{[(3,5-dinitrophenyl)carbonyl]amino}benzoate
Catalog ID
STK444331
SMILES CCCCOC(=O)c1ccc(cc1)NC(=O)c1cc(cc(c1)[N+](=O)[O-])[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 C18H17N3O7 MW 387.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17N3O7/c1-2-3-8-28-18(23)12-4-6-14(7-5-12)19-17(22)13-9-15(20(24)25)11-16(10-13)21(26)27/h4-7,9-11H,2-3,8H2,1H3,(H,19,22)InChIKey
FXSPZTUWLILFTN-UHFFFAOYSA-NSynonyms
butyl4(((35dinitrophenyl)carbonyl)amino)benzoate
BUTYL4((35BISNITROBENZOYL)AMINO)BENZOATE
BUTYL4((35DINITROBENZOYL)AMINO)BENZOATE
BUTYL4((35DINITROPHENYL)CARBONYLAMINO)BENZOATE
CCCCOC(=O)C1=CC=C(C=C1)NC(=O)C2=CC(=CC(=C2)(N+)(=O)(O))(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)NC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC18H17N3O7c12382818(23)124614(7512)1917(22)13915(20(24)25)1116(1013)21(26)27h47911H238H21H3(H1922)
MFCD00583412
ZINC000002068915
ZINC02068915
ZINC2068915
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