Vitas-M small molecule compound
4-[(benzyloxy)carbonyl]phenyl 3,5-dinitrobenzoate
Catalog ID
STK747344
SMILES O=C(c1ccc(cc1)OC(=O)c1cc(cc(c1)[N+](=O)[O-])[N+](=O)[O-])OCc1ccccc1
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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 C21H14N2O8 MW 422.35 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H14N2O8/c24-20(30-13-14-4-2-1-3-5-14)15-6-8-19(9-7-15)31-21(25)16-10-17(22(26)27)12-18(11-16)23(28)29/h1-12H,13H2InChIKey
KGCYXXXRJPTESQ-UHFFFAOYSA-NSynonyms
(4PHENYLMETHOXYCARBONYLPHENYL)35DINITROBENZOATE
4((benzyloxy)carbonyl)phenyl35dinitrobenzoate
4(BENZYLOXYCARBONYL)PHENYL35DINITROBENZOATE
C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)OC(=O)C3=CC(=CC(=C3)(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC21H14N2O8c2420(3013144213514)156819(9715)3121(25)161017(22(26)27)1218(1116)23(28)29h112H13H2
MFCD00742220
O=C(c1ccc(cc1)OC(=O)c1cc(cc(c1)(N+)(=O)(O))(N+)(=O)(O))OCc1ccccc1
ZINC000003087984
ZINC03087984
ZINC3087984
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