Vitas-M small molecule compound
2-(4-methyl-3-nitrophenyl)-2-oxoethyl 5-[(2-methoxyphenyl)amino]-5-oxopentanoate
Catalog ID
STK269512
SMILES COc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])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 C21H22N2O7 MW 414.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22N2O7/c1-14-10-11-15(12-17(14)23(27)28)18(24)13-30-21(26)9-5-8-20(25)22-16-6-3-4-7-19(16)29-2/h3-4,6-7,10-12H,5,8-9,13H2,1-2H3,(H,22,25)InChIKey
XFXRYJFOGQZGBK-UHFFFAOYSA-NSynonyms
(2(4METHYL3NITROPHENYL)2OXOETHYL)5(2METHOXYANILINO)5OXOPENTANOATE
2(4methyl3nitrophenyl)2oxoethyl5((2methoxyphenyl)amino)5oxopentanoate
CC1=C(C=C(C=C1)C(=O)COC(=O)CCCC(=O)NC2=CC=CC=C2OC)(N+)(=O)(O)
COc1ccccc1NC(=O)CCCC(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))C
InChI=1SC21H22N2O7c114101115(1217(14)23(27)28)18(24)133021(26)95820(25)2216634719(16)292h34671012H58913H212H3(H2225)
MFCD02318514
ZINC000002987008
ZINC02987008
ZINC2987008
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