Vitas-M small molecule compound
2-(4-chloro-2-nitrophenyl)-8-(diphenylmethylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STL388314
SMILES Clc1ccc(c(c1)[N+](=O)[O-])N1C(=O)C2C(C1=O)C1/C(=C(\c3ccccc3)/c3ccccc3)/C2C=C1
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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 C28H19ClN2O4 MW 482.92 g/mol Purity >90% as per NMR
InChI
InChI=1S/C28H19ClN2O4/c29-18-11-14-21(22(15-18)31(34)35)30-27(32)25-19-12-13-20(26(25)28(30)33)24(19)23(16-7-3-1-4-8-16)17-9-5-2-6-10-17/h1-15,19-20,25-26HInChIKey
UHPPXIHCOSIWHP-UHFFFAOYSA-NSynonyms
2(4chloro2nitrophenyl)8(diphenylmethylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
C1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=C(C=C(C=C5)Cl)(N+)(=O)(O))C6=CC=CC=C6
Clc1ccc(c(c1)(N+)(=O)(O))N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1
InChI=1SC28H19ClN2O4c2918111421(22(1518)31(34)35)3027(32)2519121320(26(25)28(30)33)24(19)23(167314816)1795261017h11519202526H
MFCD01802369
ZINC000100187081
ZINC000101360503
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