Vitas-M small molecule compound
ethyl 3-{[(8-methoxy-6-nitro-2-oxo-2H-chromen-3-yl)carbonyl]amino}-3-(4-methoxyphenyl)propanoate
Catalog ID
STK770598
SMILES CCOC(=O)CC(c1ccc(cc1)OC)NC(=O)c1cc2cc(cc(c2oc1=O)OC)[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 C23H22N2O9 MW 470.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H22N2O9/c1-4-33-20(26)12-18(13-5-7-16(31-2)8-6-13)24-22(27)17-10-14-9-15(25(29)30)11-19(32-3)21(14)34-23(17)28/h5-11,18H,4,12H2,1-3H3,(H,24,27)InChIKey
RYCNGQHLVOJQQY-UHFFFAOYSA-NSynonyms
CCOC(=O)CC(C1=CC=C(C=C1)OC)NC(=O)C2=CC3=CC(=CC(=C3OC2=O)OC)(N+)(=O)(O)
CCOC(=O)CC(c1ccc(cc1)OC)NC(=O)c1cc2cc(cc(c2oc1=O)OC)(N+)(=O)(O)
ethyl3(((8methoxy6nitro2oxo2Hchromen3yl)carbonyl)amino)3(4methoxyphenyl)propanoate
ETHYL3((8METHOXY6NITRO2OXOCHROMENE3CARBONYL)AMINO)3(4METHOXYPHENYL)PROPANOATE
InChI=1SC23H22N2O9c143320(26)1218(135716(312)8613)2422(27)171014915(25(29)30)1119(323)21(14)3423(17)28h51118H412H213H3(H2427)
MFCD03766369
ZINC000003623163
ZINC000003623166
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