Vitas-M small molecule compound
propyl 5-{[(2-chloro-5-nitrophenyl)carbonyl]amino}-2-(morpholin-4-yl)benzoate
Catalog ID
STK188784
SMILES CCCOC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1cc(ccc1Cl)[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 C21H22ClN3O6 MW 447.88 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H22ClN3O6/c1-2-9-31-21(27)17-12-14(3-6-19(17)24-7-10-30-11-8-24)23-20(26)16-13-15(25(28)29)4-5-18(16)22/h3-6,12-13H,2,7-11H2,1H3,(H,23,26)InChIKey
KQBGCPCPSJALOZ-UHFFFAOYSA-NSynonyms
CCCOC(=O)C1=C(C=CC(=C1)NC(=O)C2=C(C=CC(=C2)(N+)(=O)(O))Cl)N3CCOCC3
CCCOC(=O)c1cc(ccc1N1CCOCC1)NC(=O)c1cc(ccc1Cl)(N+)(=O)(O)
InChI=1SC21H22ClN3O6c1293121(27)171214(3619(17)247103011824)2320(26)161315(25(28)29)4518(16)22h361213H2711H21H3(H2326)
MFCD06664881
PROPYL5(((2CHLORO5NITROPHENYL)CARBONYL)AMINO)2(MORPHOLIN4YL)BENZOATE
propyl5((2chloro5nitrobenzoyl)amino)2morpholin4ylbenzoate
ZINC000009907816
ZINC09907816
ZINC9907816
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