Vitas-M small molecule compound

2-(5-chloro-2-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
STK544131
SMILES Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1/C(=C\3/C4CC5CC3CC(C4)C5)/C2C=C1)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 C26H26ClNO2 MW 419.95 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H26ClNO2/c1-12-2-3-17(27)11-20(12)28-25(29)23-18-4-5-19(24(23)26(28)30)22(18)21-15-7-13-6-14(9-15)10-16(21)8-13/h2-5,11,13-16,18-19,23-24H,6-10H2,1H3
InChIKey
JKIGKXZBOSMTRZ-UHFFFAOYSA-N
Synonyms
495384-56-0
(3aR4R7S7aS)8((1R3S5R7R)adamantan2ylidene)2(5chloro2methylphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
2(5chloro2methylphenyl)8(tricyclo(3311~37~)dec2ylidene)3a477atetrahydro1H47methanoisoindole13(2H)dione
495384560
CC1=C(C=C(C=C1)Cl)N2C(=O)C3C4C=CC(C3C2=O)C4=C5C6CC7CC(C6)CC5C7
Clc1ccc(c(c1)N1C(=O)C2C(C1=O)C1C(=C3C4CC5CC3CC(C4)C5)C2C=C1)C
InChI=1SC26H26ClNO2c1122317(27)1120(12)2825(29)23184519(24(23)26(28)30)22(18)2115713614(915)1016(21)813h2511131618192324H610H21H3
MFCD03082933
ZINC000102690434
ZINC000102690437

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Available files

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