Vitas-M small molecule compound
ethyl 3-{[(6,8-dichloro-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(3-nitrophenyl)propanoate
Catalog ID
STK770604
SMILES CCOC(=O)CC(c1cccc(c1)[N+](=O)[O-])NC(=O)c1cc2cc(Cl)cc(c2oc1=O)Cl
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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 C21H16Cl2N2O7 MW 479.27 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H16Cl2N2O7/c1-2-31-18(26)10-17(11-4-3-5-14(7-11)25(29)30)24-20(27)15-8-12-6-13(22)9-16(23)19(12)32-21(15)28/h3-9,17H,2,10H2,1H3,(H,24,27)InChIKey
PJVBMTDAHVNNFB-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC(=CC=C1)(N+)(=O)(O))NC(=O)C2=CC3=CC(=CC(=C3OC2=O)Cl)Cl
CCOC(=O)CC(c1cccc(c1)(N+)(=O)(O))NC(=O)c1cc2cc(Cl)cc(c2oc1=O)Cl
ethyl3(((68dichloro2oxo2Hchromen3yl)carbonyl)amino)3(3nitrophenyl)propanoate
ETHYL3((68DICHLORO2OXOCHROMENE3CARBONYL)AMINO)3(3NITROPHENYL)PROPANOATE
InChI=1SC21H16Cl2N2O7c123118(26)1017(1143514(711)25(29)30)2420(27)15812613(22)916(23)19(12)3221(15)28h3917H210H21H3(H2427)
MFCD03766376
ZINC000003623195
ZINC000003623197
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