Vitas-M small molecule compound
4-{8-[bis(4-methylphenyl)methylidene]-1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl}phenyl acetate
Catalog ID
STL384367
SMILES CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1/C(=C(\c3ccc(cc3)C)/c3ccc(cc3)C)/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 C32H27NO4 MW 489.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C32H27NO4/c1-18-4-8-21(9-5-18)27(22-10-6-19(2)7-11-22)28-25-16-17-26(28)30-29(25)31(35)33(32(30)36)23-12-14-24(15-13-23)37-20(3)34/h4-17,25-26,29-30H,1-3H3InChIKey
NFRWFUDOYNPGBS-UHFFFAOYSA-NSynonyms
4(8(bis(4methylphenyl)methylidene)13dioxo133a477ahexahydro2H47methanoisoindol2yl)phenylacetate
CC(=O)Oc1ccc(cc1)N1C(=O)C2C(C1=O)C1C(=C(c3ccc(cc3)C)c3ccc(cc3)C)C2C=C1
CC1=CC=C(C=C1)C(=C2C3C=CC2C4C3C(=O)N(C4=O)C5=CC=C(C=C5)OC(=O)C)C6=CC=C(C=C6)C
InChI=1SC32H27NO4c1184821(9518)27(2210619(2)71122)2825161726(28)3029(25)31(35)33(32(30)36)23121424(151323)3720(3)34h41725262930H13H3
MFCD03553251
ZINC000101024158
ZINC000101894466
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