Vitas-M small molecule compound
2-(4-chloro-3-nitrophenyl)-2-oxoethyl 2-[4-(butoxycarbonyl)phenyl]-1,3-dioxo-2,3-dihydro-1H-isoindole-5-carboxylate
Catalog ID
STK269547
SMILES CCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1ccc(c(c1)[N+](=O)[O-])Cl
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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 C28H21ClN2O9 MW 564.94 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H21ClN2O9/c1-2-3-12-39-27(35)16-4-8-19(9-5-16)30-25(33)20-10-6-18(13-21(20)26(30)34)28(36)40-15-24(32)17-7-11-22(29)23(14-17)31(37)38/h4-11,13-14H,2-3,12,15H2,1H3InChIKey
CBBOYBJJOKYAOK-UHFFFAOYSA-NSynonyms
(2(4CHLORO3NITROPHENYL)2OXOETHYL)2(4BUTOXYCARBONYLPHENYL)13DIOXOISOINDOLE5CARBOXYLATE
2(4chloro3nitrophenyl)2oxoethyl2(4(butoxycarbonyl)phenyl)13dioxo23dihydro1Hisoindole5carboxylate
2(4CHLORO3NITROPHENYL)2OXOETHYL2(4(BUTOXYCARBONYL)PHENYL)13DIOXOBENZO(C)AZOLINE5CARBOXYLATE
CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C3=C(C2=O)C=C(C=C3)C(=O)OCC(=O)C4=CC(=C(C=C4)Cl)(N+)(=O)(O)
CCCCOC(=O)c1ccc(cc1)N1C(=O)c2c(C1=O)cc(cc2)C(=O)OCC(=O)c1ccc(c(c1)(N+)(=O)(O))Cl
InChI=1SC28H21ClN2O9c123123927(35)164819(9516)3025(33)2010618(1321(20)26(30)34)28(36)401524(32)1771122(29)23(1417)31(37)38h4111314H231215H21H3
MFCD02314538
ZINC000102074650
ZINC102074650
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