Vitas-M small molecule compound
4-[(4-chlorophenyl)carbonyl]-2,6-bis(3-nitrophenyl)pyrrolo[3,4-f]isoindole-1,3,5,7(2H,6H)-tetrone
Catalog ID
STK092654
SMILES Clc1ccc(cc1)C(=O)c1c2c(=O)n(c(=O)c2cc2c1c(=O)n(c2=O)c1cccc(c1)[N+](=O)[O-])c1cccc(c1)[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 C29H13ClN4O9 MW 596.90 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H13ClN4O9/c30-15-9-7-14(8-10-15)25(35)24-22-20(26(36)31(28(22)38)16-3-1-5-18(11-16)33(40)41)13-21-23(24)29(39)32(27(21)37)17-4-2-6-19(12-17)34(42)43/h1-13HInChIKey
XBCQWDJEIMDSLM-UHFFFAOYSA-NSynonyms
4((4chlorophenyl)carbonyl)26bis(3nitrophenyl)pyrrolo(34f)isoindole1357(2H6H)tetrone
8(4chlorobenzoyl)26bis(3nitrophenyl)pyrrolo(34f)isoindole1357tetrone
C1=CC(=CC(=C1)(N+)(=O)(O))N2C(=O)C3=CC4=C(C(=C3C2=O)C(=O)C5=CC=C(C=C5)Cl)C(=O)N(C4=O)C6=CC(=CC=C6)(N+)(=O)(O)
Clc1ccc(cc1)C(=O)c1c2c(=O)n(c(=O)c2cc2c1c(=O)n(c2=O)c1cccc(c1)(N+)(=O)(O))c1cccc(c1)(N+)(=O)(O)
InChI=1SC29H13ClN4O9c30159714(81015)25(35)242220(26(36)31(28(22)38)1631518(1116)33(40)41)132123(24)29(39)32(27(21)37)1742619(1217)34(42)43h113H
MFCD00632019
STK092654
ZINC000033353304
ZINC33353304
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