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)benzoate
Catalog ID
STK274751
SMILES O=C1N(c2ccc(cc2)C(=O)Oc2ccc(cc2)C(C)(C)C)C(=O)C2C1C1C=CC2C1
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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 C26H25NO4 MW 415.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25NO4/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/h4-13,16-17,21-22H,14H2,1-3H3InChIKey
SUIVOGSVPYPPIN-UHFFFAOYSA-NSynonyms
4tertbutylphenyl4(13dioxo133a477ahexahydro2H47methanoisoindol2yl)benzoate
CC(C)(C)C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N3C(=O)C4C5CC(C4C3=O)C=C5
InChI=1SC26H25NO4c126(23)1881220(13918)3125(30)1561019(11715)2723(28)21164517(1416)22(21)24(27)29h41316172122H14H213H3
MFCD03165125
ZINC000102532017
ZINC000239412505
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