Vitas-M small molecule compound
methyl 4-{3-chloro-4-[(3-nitrobenzyl)oxy]phenyl}-2-methyl-5-oxo-4,5-dihydro-1H-indeno[1,2-b]pyridine-3-carboxylate
Catalog ID
STL374277
SMILES COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)OCc1cccc(c1)[N+](=O)[O-])C(=O)c1c2cccc1
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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 C28H21ClN2O6 MW 516.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O6/c1-15-23(28(33)36-2)24(25-26(30-15)19-8-3-4-9-20(19)27(25)32)17-10-11-22(21(29)13-17)37-14-16-6-5-7-18(12-16)31(34)35/h3-13,24,30H,14H2,1-2H3InChIKey
JFHOGYZOKCWRGU-UHFFFAOYSA-NSynonyms
CC1=C(C(C2=C(N1)C3=CC=CC=C3C2=O)C4=CC(=C(C=C4)OCC5=CC(=CC=C5)(N+)(=O)(O))Cl)C(=O)OC
COC(=O)C1=C(C)NC2=C(C1c1ccc(c(c1)Cl)OCc1cccc(c1)(N+)(=O)(O))C(=O)c1c2cccc1
InChI=1SC28H21ClN2O6c11523(28(33)362)24(2526(3015)19834920(19)27(25)32)17101122(21(29)1317)37141665718(1216)31(34)35h3132430H14H212H3
methyl4(3chloro4((3nitrobenzyl)oxy)phenyl)2methyl5oxo45dihydro1Hindeno(12b)pyridine3carboxylate
METHYL4(3CHLORO4((3NITROPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(12B)PYRIDINE3CARBOXYLATE
METHYL4(3CHLORO4((3NITROPHENYL)METHOXY)PHENYL)2METHYL5OXO14DIHYDROINDENO(32B)PYRIDINE3CARBOXYLATE
MFCD02228821
ZINC000019804563
ZINC000019804565
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