Vitas-M small molecule compound
ethyl 2-chloro-5-[8-(diphenylmethylidene)-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl]benzoate
Catalog ID
STL384071
SMILES CCOC(=O)c1cc(ccc1Cl)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 C31H24ClNO4 MW 509.99 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H24ClNO4/c1-2-37-31(36)23-17-20(13-16-24(23)32)33-29(34)27-21-14-15-22(28(27)30(33)35)26(21)25(18-9-5-3-6-10-18)19-11-7-4-8-12-19/h3-17,21-22,27-28H,2H2,1H3InChIKey
NXBARWMOVJJUNR-UHFFFAOYSA-NSynonyms
CCOC(=O)C1=C(C=CC(=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C(C5=CC=CC=C5)C6=CC=CC=C6)Cl
CCOC(=O)c1cc(ccc1Cl)N1C(=O)C2C(C1=O)C1C(=C(c3ccccc3)c3ccccc3)C2C=C1
ethyl2chloro5(8(diphenylmethylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
InChI=1SC31H24ClNO4c123731(36)231720(131624(23)32)3329(34)2721141522(28(27)30(33)35)26(21)25(1895361018)19117481219h31721222728H2H21H3
MFCD03699344
ZINC000101418398
ZINC000101418403
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