Vitas-M small molecule compound

4-tert-butylphenyl 4-(1,3-dioxo-1,3,3a,4,7,7a-hexahydro-2H-4,7-methanoisoindol-2-yl)cyclohexanecarboxylate

Catalog ID
STK275526
SMILES O=C(C1CCC(CC1)N1C(=O)C2C(C1=O)C1CC2C=C1)Oc1ccc(cc1)C(C)(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 C26H31NO4 MW 421.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H31NO4/c1-26(2,3)18-8-12-20(13-9-18)31-25(30)15-6-10-19(11-7-15)27-23(28)21-16-4-5-17(14-16)22(21)24(27)29/h4-5,8-9,12-13,15-17,19,21-22H,6-7,10-11,14H2,1-3H3
InChIKey
WIYZFJJAKMXULI-UHFFFAOYSA-N
Synonyms

4tertbutylphenyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)cyclohexanecarboxylate
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2CCC(CC2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC26H31NO4c126(23)1881220(13918)3125(30)1561019(11715)2723(28)21164517(1416)22(21)24(27)29h458912131517192122H67101114H213H3
MFCD02916160
ZINC000102082895
ZINC000102082904

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Available files

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