Vitas-M small molecule compound
2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 6-bromo-2-(4-methoxyphenyl)quinoline-4-carboxylate
Catalog ID
STK290185
SMILES COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)OCC(=O)c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])Br
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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 C31H21BrN2O7 MW 613.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H21BrN2O7/c1-39-23-9-2-19(3-10-23)29-17-27(26-16-21(32)6-15-28(26)33-29)31(36)40-18-30(35)20-4-11-24(12-5-20)41-25-13-7-22(8-14-25)34(37)38/h2-17H,18H2,1H3InChIKey
ANBBJCZVOLXABK-UHFFFAOYSA-NSynonyms
(2(4(4nitrophenoxy)phenyl)2oxoethyl)6bromo2(4methoxyphenyl)quinoline4carboxylate
2(4(4nitrophenoxy)phenyl)2oxoethyl6bromo2(4methoxyphenyl)quinoline4carboxylate
COC1=CC=C(C=C1)C2=NC3=C(C=C(C=C3)Br)C(=C2)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)(N+)(=O)(O)
COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)OCC(=O)c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O))Br
InChI=1SC31H21BrN2O7c139239219(31023)291727(261621(32)61528(26)3329)31(36)401830(35)2041124(12520)412513722(81425)34(37)38h217H18H21H3
MFCD05107173
ZINC000097948899
ZINC97948899
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