Vitas-M small molecule compound
2-[4-(4-nitrophenoxy)phenyl]-2-oxoethyl 6-bromo-7-chloro-8-methyl-2-phenylquinoline-4-carboxylate
Catalog ID
STK290205
SMILES O=C(c1ccc(cc1)Oc1ccc(cc1)[N+](=O)[O-])COC(=O)c1cc(nc2c1cc(Br)c(c2C)Cl)c1ccccc1
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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 C31H20BrClN2O6 MW 631.87 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H20BrClN2O6/c1-18-29(33)26(32)15-24-25(16-27(34-30(18)24)19-5-3-2-4-6-19)31(37)40-17-28(36)20-7-11-22(12-8-20)41-23-13-9-21(10-14-23)35(38)39/h2-16H,17H2,1H3InChIKey
BYWLUJLAMUSIBW-UHFFFAOYSA-NSynonyms
(2(4(4NITROPHENOXY)PHENYL)2OXOETHYL)6BROMO7CHLORO8METHYL2PHENYLQUINOLINE4CARBOXYLATE
2(4(4nitrophenoxy)phenyl)2oxoethyl6bromo7chloro8methyl2phenylquinoline4carboxylate
CC1=C2C(=CC(=C1Cl)Br)C(=CC(=N2)C3=CC=CC=C3)C(=O)OCC(=O)C4=CC=C(C=C4)OC5=CC=C(C=C5)(N+)(=O)(O)
InChI=1SC31H20BrClN2O6c11829(33)26(32)152425(1627(3430(18)24)195324619)31(37)401728(36)2071122(12820)412313921(101423)35(38)39h216H17H21H3
MFCD04080296
O=C(c1ccc(cc1)Oc1ccc(cc1)(N+)(=O)(O))COC(=O)c1cc(nc2c1cc(Br)c(c2C)Cl)c1ccccc1
ZINC000150391075
ZINC150391075
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