Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(4-cyclohexylphenyl)quinoline-4-carboxylate
Catalog ID
STK388940
SMILES O=C(c1ccc(c(c1)[N+](=O)[O-])C)COC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)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 C31H28N2O5 MW 508.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H28N2O5/c1-20-11-12-24(17-29(20)33(36)37)30(34)19-38-31(35)26-18-28(32-27-10-6-5-9-25(26)27)23-15-13-22(14-16-23)21-7-3-2-4-8-21/h5-6,9-18,21H,2-4,7-8,19H2,1H3InChIKey
XFRUVZGBSXYCRS-UHFFFAOYSA-NSynonyms
524727-64-8(2(4METHYL3NITROPHENYL)2OXOETHYL)2(4CYCLOHEXYLPHENYL)QUINOLINE4CARBOXYLATE
2(4methyl3nitrophenyl)2oxoethyl2(4cyclohexylphenyl)quinoline4carboxylate
524727648
CC1=C(C=C(C=C1)C(=O)COC(=O)C2=CC(=NC3=CC=CC=C32)C4=CC=C(C=C4)C5CCCCC5)(N+)(=O)(O)
InChI=1SC31H28N2O5c120111224(1729(20)33(36)37)30(34)193831(35)261828(32271065925(26)27)23151322(141623)217324821h5691821H247819H21H3
MFCD03182923
O=C(c1ccc(c(c1)(N+)(=O)(O))C)COC(=O)c1cc(nc2c1cccc2)c1ccc(cc1)C1CCCCC1
ZINC000001857999
ZINC01857999
ZINC1857999
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