Vitas-M small molecule compound

8-(butan-2-ylidene)-2-(4-methylphenyl)-3a,4,7,7a-tetrahydro-1H-4,7-methanoisoindole-1,3(2H)-dione

Catalog ID
STL330432
SMILES CC/C(=C/1\C2C=CC1C1C2C(=O)N(C1=O)c1ccc(cc1)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 C20H21NO2 MW 307.39 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H21NO2/c1-4-12(3)16-14-9-10-15(16)18-17(14)19(22)21(20(18)23)13-7-5-11(2)6-8-13/h5-10,14-15,17-18H,4H2,1-3H3
InChIKey
KHBKTDJNVWPIOM-UHFFFAOYSA-N
Synonyms

(3aR4R7S7aSE)8(butan2ylidene)2(ptolyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
8(butan2ylidene)2(4methylphenyl)3a477atetrahydro1H47methanoisoindole13(2H)dione
CCC(=C1C2C=CC1C1C2C(=O)N(C1=O)c1ccc(cc1)C)C
CCC(=C1C2C=CC1C3C2C(=O)N(C3=O)C4=CC=C(C=C4)C)C
InChI=1SC20H21NO2c1412(3)161491015(16)1817(14)19(22)21(20(18)23)137511(2)6813h51014151718H4H213H3
MFCD01031830
ZINC000100790083
ZINC000239331197

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Available files

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