Vitas-M small molecule compound
4-(2-phenylpropan-2-yl)phenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)benzoate
Catalog ID
STK286513
SMILES O=C(c1ccc(cc1)N1C(=O)C2C(C1=O)C1CC2C=C1)Oc1ccc(cc1)C(c1ccccc1)(C)C
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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 C31H27NO4 MW 477.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H27NO4/c1-31(2,22-6-4-3-5-7-22)23-12-16-25(17-13-23)36-30(35)19-10-14-24(15-11-19)32-28(33)26-20-8-9-21(18-20)27(26)29(32)34/h3-17,20-21,26-27H,18H2,1-2H3InChIKey
XHDNGLYUAYLYOQ-UHFFFAOYSA-NSynonyms
4(2phenylpropan2yl)phenyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC(C)(C1=CC=CC=C1)C2=CC=C(C=C2)OC(=O)C3=CC=C(C=C3)N4C(=O)C5C6CC(C5C4=O)C=C6
InChI=1SC31H27NO4c131(2226435722)23121625(171323)3630(35)19101424(151119)3228(33)26208921(1820)27(26)29(32)34h31720212627H18H212H3
MFCD03577430
ZINC000102518670
ZINC000102651696
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