Vitas-M small molecule compound
2-(3-methylphenyl)-8-(tricyclo[3.3.1.1~3,7~]dec-2-ylidene)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione
Catalog ID
STK825644
SMILES Cc1cccc(c1)N1C(=O)C2C(C1=O)C1/C(=C\3/C4CC5CC3CC(C4)C5)/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 C26H27NO2 MW 385.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H27NO2/c1-13-3-2-4-18(7-13)27-25(28)23-19-5-6-20(24(23)26(27)29)22(19)21-16-9-14-8-15(11-16)12-17(21)10-14/h2-7,14-17,19-20,23-24H,8-12H2,1H3InChIKey
UESZGMALBGUBGC-UHFFFAOYSA-NSynonyms
(3aR4R7S7aS)8((1R3S5R7R)adamantan2ylidene)2(mtolyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
2(3methylphenyl)8(tricyclo(3311~37~)dec2ylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
CC1=CC(=CC=C1)N2C(=O)C3C4C=CC(C3C2=O)C4=C5C6CC7CC(C6)CC5C7
Cc1cccc(c1)N1C(=O)C2(C@@H)(C1=O)C1C(=C3C4CC5CC3CC(C4)C5)C2C=C1
Cc1cccc(c1)N1C(=O)C2C(C1=O)C1C(=C3C4CC5CC3CC(C4)C5)C2C=C1
InChI=1SC26H27NO2c11332418(713)2725(28)23195620(24(23)26(27)29)22(19)2116914815(1116)1217(21)1014h27141719202324H812H21H3
MFCD02197806
ZINC000100740732
ZINC000101665245
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