Vitas-M small molecule compound

3-(3-chlorophenyl)-3-{[(4,5-dimethoxy-2-nitrophenyl)carbonyl]amino}propanoic acid

Catalog ID
STK683174
SMILES COc1cc(C(=O)NC(c2cccc(c2)Cl)CC(=O)O)c(cc1OC)[N+](=O)[O-]

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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 C18H17ClN2O7 MW 408.79 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H17ClN2O7/c1-27-15-7-12(14(21(25)26)9-16(15)28-2)18(24)20-13(8-17(22)23)10-4-3-5-11(19)6-10/h3-7,9,13H,8H2,1-2H3,(H,20,24)(H,22,23)
InChIKey
XTQXFFORNJPKAK-UHFFFAOYSA-N
Synonyms

3(3chlorophenyl)3(((45dimethoxy2nitrophenyl)carbonyl)amino)propanoicacid
3(3CHLOROPHENYL)3((45DIMETHOXY2NITROBENZOYL)AMINO)PROPANOICACID
COC1=C(C=C(C(=C1)C(=O)NC(CC(=O)O)C2=CC(=CC=C2)Cl)(N+)(=O)(O))OC
COc1cc(C(=O)NC(c2cccc(c2)Cl)CC(=O)O)c(cc1OC)(N+)(=O)(O)
InChI=1SC18H17ClN2O7c12715712(14(21(25)26)916(15)282)18(24)2013(817(22)23)1043511(19)610h37913H8H212H3(H2024)(H2223)
MFCD05256961
ZINC000004686105
ZINC000004686106

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Available files

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