Vitas-M small molecule compound
methyl 4-{3-chloro-5-methoxy-4-[(4-nitrobenzyl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STL374287
SMILES COc1cc(cc(c1OCc1ccc(cc1)[N+](=O)[O-])Cl)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)OC
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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 C29H23ClN2O7 MW 546.96 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H23ClN2O7/c1-15-23(29(34)38-3)24(25-26(31-15)19-6-4-5-7-20(19)27(25)33)17-12-21(30)28(22(13-17)37-2)39-14-16-8-10-18(11-9-16)32(35)36/h4-13,24,31H,14H2,1-3H3InChIKey
UWNSODAXIAXQBH-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C(=C4)Cl)OCC5=CC=C(C=C5)(N+)(=O)(O))OC)C(=O)OC
COc1cc(cc(c1OCc1ccc(cc1)(N+)(=O)(O))Cl)C1C(=C(C)NC2=C1C(=O)c1c2cccc1)C(=O)OC
InChI=1SC29H23ClN2O7c11523(29(34)383)24(2526(3115)19645720(19)27(25)33)171221(30)28(22(1317)372)39141681018(11916)32(35)36h4132431H14H213H3
methyl4(3chloro5methoxy4((4nitrobenzyl)oxy)phenyl)2methyl5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL4(3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3CHLORO5METHOXY4((4NITROPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(32B)PYRIDINE3CARBOXYLATE
MFCD02228835
ZINC000000797894
ZINC000000797895
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