Vitas-M small molecule compound

1-[(3-tert-butyl-5,9-dimethyl-7-oxo-7H-furo[3,2-g]chromen-6-yl)acetyl]-4-phenylpiperidine-4-carboxylic acid

Catalog ID
STL515954
SMILES O=C(N1CCC(CC1)(C(=O)O)c1ccccc1)Cc1c(=O)oc2c(c1C)cc1c(c2C)occ1C(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 C31H33NO6 MW 515.61 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H33NO6/c1-18-21-15-23-24(30(3,4)5)17-37-26(23)19(2)27(21)38-28(34)22(18)16-25(33)32-13-11-31(12-14-32,29(35)36)20-9-7-6-8-10-20/h6-10,15,17H,11-14,16H2,1-5H3,(H,35,36)
InChIKey
NRVFGDRCPSGAMU-UHFFFAOYSA-N
Synonyms
859109-23-2
1((3tertbutyl59dimethyl7oxo7Hfuro(32g)chromen6yl)acetyl)4phenylpiperidine4carboxylicacid
1(2(3(TERTBUTYL)59DIMETHYL7OXO7HFURO(32G)CHROMEN6YL)ACETYL)4PHENYLPIPERIDINE4CARBOXYLICACID
1(2(3~(tert)butyl59dimethyl7oxofuro(32g)chromen6yl)acetyl)4phenylpiperidine4carboxylicacid
1(2(3TERTBUTYL59DIMETHYL7OXOFURO(32G)CHROMEN6YL)ACETYL)4PHENYLPIPERIDINE4CARBOXYLICACID
1806403
859109232
InChI=1SC31H33NO6c11821152324(30(34)5)173726(23)19(2)27(21)3828(34)22(18)1625(33)32131131(12143229(35)36)2097681020h6101517H111416H215H3(H3536)
MFCD05674971
ZINC000002158518
ZINC2158518

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.