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Vitas-M small molecule compound

methyl (9E)-9-{4-[3-(9H-carbazol-9-yl)-2-hydroxypropoxy]benzylidene}-2,5,7-trinitro-9H-fluorene-4-carboxylate

Catalog ID
STK538385
SMILES COC(=O)c1cc(cc2c1c1c(cc(cc1/C/2=C/c1ccc(cc1)OCC(Cn1c2ccccc2c2c1cccc2)O)[N+](=O)[O-])[N+](=O)[O-])[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 C37H26N4O10 MW 686.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C37H26N4O10/c1-50-37(43)31-17-22(39(44)45)15-29-28(30-16-23(40(46)47)18-34(41(48)49)36(30)35(29)31)14-21-10-12-25(13-11-21)51-20-24(42)19-38-32-8-4-2-6-26(32)27-7-3-5-9-33(27)38/h2-18,24,42H,19-20H2,1H3/b28-14+
InChIKey
UWNAVXGPMVZQHH-CCVNUDIWSA-N
Synonyms

(E)methyl9(4(3(9Hcarbazol9yl)2hydroxypropoxy)benzylidene)257trinitro9Hfluorene4carboxylate
COC(=O)C1=C2C(=CC(=C1)(N+)(=O)(O))C(=CC3=CC=C(C=C3)OCC(CN4C5=CC=CC=C5C6=CC=CC=C64)O)C7=CC(=CC(=C72)(N+)(=O)(O))(N+)(=O)(O)
COC(=O)c1cc(cc2c1c1c(cc(cc1C2=Cc1ccc(cc1)OCC(Cn1c2ccccc2c2c1cccc2)O)(N+)(=O)(O))(N+)(=O)(O))(N+)(=O)(O)
InChI=1SC37H26N4O10c15037(43)311722(39(44)45)152928(301623(40(46)47)1834(41(48)49)36(30)35(29)31)1421101225(131121)512024(42)193832842626(32)27735933(27)38h2182442H1920H21H3b2814+
METHYL(9E)9((4(3CARBAZOL9YL2HYDROXYPROPOXY)PHENYL)METHYLIDENE)257TRINITROFLUORENE4CARBOXYLATE
methyl(9E)9(4(3(9Hcarbazol9yl)2hydroxypropoxy)benzylidene)257trinitro9Hfluorene4carboxylate
METHYL9((4(3CARBAZOL9YL2HYDROXYPROPOXY)PHENYL)METHYLENE)257TRINITROFLUORENE4CARBOXYLATE
MFCD02249556
ZINC000150406632
ZINC000150406636

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Available files

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