Vitas-M small molecule compound

2-[4-(pentyloxy)phenyl]-3a,4,7,7a-tetrahydro-1H-4,7-ethanoisoindole-1,3(2H)-dione

Catalog ID
STK042311
SMILES CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1CCC2C=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 C21H25NO3 MW 339.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H25NO3/c1-2-3-4-13-25-17-11-9-16(10-12-17)22-20(23)18-14-5-6-15(8-7-14)19(18)21(22)24/h5-6,9-12,14-15,18-19H,2-4,7-8,13H2,1H3
InChIKey
AYBKONWHYJQPOG-UHFFFAOYSA-N
Synonyms

2(4(PENTYLOXY)PHENYL)3A477ATETRAHYDRO1H47ETHANOISOINDOLE13(2H)DIONE
CCCCCOC1=CC=C(C=C1)N2C(=O)C3C4CCC(C3C2=O)C=C4
CCCCCOc1ccc(cc1)N1C(=O)C2C(C1=O)C1CCC2C=C1
InChI=1SC21H25NO3c123413251711916(101217)2220(23)18145615(8714)19(18)21(22)24h5691214151819H247813H21H3
MFCD01176523
STK042311
ZINC000100636401
ZINC000103139367

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Available files

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