Vitas-M small molecule compound
methyl 2-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Catalog ID
STL388318
SMILES COC(=O)c1ccccc1N1C(=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 C30H23NO4 MW 461.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H23NO4/c1-35-30(34)20-14-8-9-15-23(20)31-28(32)26-21-16-17-22(27(26)29(31)33)25(21)24(18-10-4-2-5-11-18)19-12-6-3-7-13-19/h2-17,21-22,26-27H,1H3InChIKey
ORXGQFLYYWQGBQ-UHFFFAOYSA-NSynonyms
COC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
COC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1
InChI=1SC30H23NO4c13530(34)2014891523(20)3128(32)2621161722(27(26)29(31)33)25(21)24(18104251118)19126371319h21721222627H1H3
methyl2(8(diphenylmethylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
MFCD01802376
ZINC000101199126
ZINC000101199135
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