Vitas-M small molecule compound

ethyl 2-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate

Catalog ID
STL384342
SMILES CCOC(=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 C31H25NO4 MW 475.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H25NO4/c1-2-36-31(35)21-15-9-10-16-24(21)32-29(33)27-22-17-18-23(28(27)30(32)34)26(22)25(19-11-5-3-6-12-19)20-13-7-4-8-14-20/h3-18,22-23,27-28H,2H2,1H3
InChIKey
QQJAOWZHNWOEHA-UHFFFAOYSA-N
Synonyms

CCOC(=O)C1=CC=CC=C1N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6
CCOC(=O)c1ccccc1N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1
ethyl2(8(diphenylmethylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
InChI=1SC31H25NO4c123631(35)21159101624(21)3229(33)2722171823(28(27)30(32)34)26(22)25(19115361219)20137481420h31822232728H2H21H3
MFCD03082637
ZINC000101391569
ZINC000101391573

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Available files

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