Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 2-(4-methoxyphenyl)-6-methylquinoline-4-carboxylate
Catalog ID
STK269727
SMILES COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])C)C
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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 C27H22N2O6 MW 470.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C27H22N2O6/c1-16-4-11-23-21(12-16)22(14-24(28-23)18-7-9-20(34-3)10-8-18)27(31)35-15-26(30)19-6-5-17(2)25(13-19)29(32)33/h4-14H,15H2,1-3H3InChIKey
BSSGTHWIYGFWIQ-UHFFFAOYSA-NSynonyms
354772-81-9(2(4METHYL3NITROPHENYL)2OXOETHYL)2(4METHOXYPHENYL)6METHYLQUINOLINE4CARBOXYLATE
2(4methyl3nitrophenyl)2oxoethyl2(4methoxyphenyl)6methylquinoline4carboxylate
354772819
CC1=CC2=C(C=C1)N=C(C=C2C(=O)OCC(=O)C3=CC(=C(C=C3)C)(N+)(=O)(O))C4=CC=C(C=C4)OC
COc1ccc(cc1)c1nc2ccc(cc2c(c1)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C)C
InChI=1SC27H22N2O6c1164112321(1216)22(1424(2823)187920(343)10818)27(31)351526(30)196517(2)25(1319)29(32)33h414H15H213H3
MFCD02068183
ZINC000002227188
ZINC02227188
ZINC2227188
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