Vitas-M small molecule compound

bis(1,7,7-trimethylbicyclo[2.2.1]hept-2-yl) [(benzylamino)(phenyl)methyl]phosphonate

Catalog ID
STK532581
SMILES O=P(C(c1ccccc1)NCc1ccccc1)(OC1CC2C(C1(C)CC2)(C)C)OC1CC2C(C1(C)CC2)(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 C34H48NO3P MW 549.73 g/mol Purity >90% as per NMR
InChI
InChI=1S/C34H48NO3P/c1-31(2)26-17-19-33(31,5)28(21-26)37-39(36,38-29-22-27-18-20-34(29,6)32(27,3)4)30(25-15-11-8-12-16-25)35-23-24-13-9-7-10-14-24/h7-16,26-30,35H,17-23H2,1-6H3
InChIKey
BATYDYQRHLJKAS-UHFFFAOYSA-N
Synonyms
474879-29-3
(1S2R4S)177TRIMETHYLBICYCLO(221)HEPTAN2YL((1S2S4S)177TRIMETHYLBICYCLO(221)HEPTAN2YL)((BENZYLAMINO)(PHENYL)METHYL)PHOSPHONATE
(2R)177trimethylbicyclo(221)heptan2yl((2S)177trimethylbicyclo(221)heptan2yl)((benzylamino)(phenyl)methyl)phosphonate
474879293
bis(177trimethylbicyclo(221)hept2yl)((benzylamino)(phenyl)methyl)phosphonate
CC1(C2CCC1(C(C2)OP(=O)(C(C3=CC=CC=C3)NCC4=CC=CC=C4)OC5CC6CCC5(C6(C)C)C)C)C
InChI=1SC34H48NO3Pc131(2)26171933(315)28(2126)3739(3638292227182034(296)32(273)4)30(2515118121625)3523241397101424h716263035H1723H216H3
MFCD01954843
NBENZYL1(BIS((477TRIMETHYL3BICYCLO(221)HEPTANYL)OXY)PHOSPHORYL)1PHENYLMETHANAMINE
ZINC000100320727
ZINC000239274987

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Available files

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