Vitas-M small molecule compound
3-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-3-(4-propoxyphenyl)propanoic acid
Catalog ID
STK680227
SMILES CCCOc1ccc(cc1)C(NC(=O)c1cc(ccc1Cl)[N+](=O)[O-])CC(=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 C19H19ClN2O6 MW 406.82 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H19ClN2O6/c1-2-9-28-14-6-3-12(4-7-14)17(11-18(23)24)21-19(25)15-10-13(22(26)27)5-8-16(15)20/h3-8,10,17H,2,9,11H2,1H3,(H,21,25)(H,23,24)InChIKey
BDNAUONLKXSDAH-UHFFFAOYSA-NSynonyms
3(((2chloro5nitrophenyl)carbonyl)amino)3(4propoxyphenyl)propanoicacid
3((2CHLORO5NITROBENZOYL)AMINO)3(4PROPOXYPHENYL)PROPANOICACID
CCCOC1=CC=C(C=C1)C(CC(=O)O)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl
CCCOc1ccc(cc1)C(NC(=O)c1cc(ccc1Cl)(N+)(=O)(O))CC(=O)O
InChI=1SC19H19ClN2O6c12928146312(4714)17(1118(23)24)2119(25)151013(22(26)27)5816(15)20h381017H2911H21H3(H2125)(H2324)
MFCD03767000
ZINC000004602080
ZINC000004602082
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