Vitas-M small molecule compound

3-[(3-hydroxy-2-phenylpropanoyl)oxy]-8-methyl-8-(prop-2-yn-1-yl)-8-azoniabicyclo[3.2.1]octane

Catalog ID
STK033780
SMILES OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)[N+]2(C)CC#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 C20H26NO3 MW 328.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H26NO3/c1-3-11-21(2)16-9-10-17(21)13-18(12-16)24-20(23)19(14-22)15-7-5-4-6-8-15/h1,4-8,16-19,22H,9-14H2,2H3/q+1
InChIKey
PLKWEVUMSNPOQP-UHFFFAOYSA-N
Synonyms

(1R5S)3((3hydroxy2phenylpropanoyl)oxy)8methyl8(prop2yn1yl)8azabicyclo(321)octan8iumbromide
(8METHYL8PROP2YNYL8AZONIABICYCLO(321)OCTAN3YL)3HYDROXY2PHENYLPROPANOATE
3((3HYDROXY2PHENYLPROPANOYL)OXY)8METHYL8(PROP2YN1YL)8AZONIABICYCLO(321)OCTANE
3((3HYDROXY2PHENYLPROPANOYL)OXY)8METHYL8PROP2YN1YL8AZONIABICYCLO(321)OCTANE
C(N+)1(C2CCC1CC(C2)OC(=O)C(CO)C3=CC=CC=C3)CC#C
InChI=1SC20H26NO3c131121(2)1691017(21)1318(1216)2420(23)19(1422)157546815h148161922H914H22H3q+1
MFCD10465746
OCC(c1ccccc1)C(=O)OC1C(C@@H)2CC(C@H)(C1)(N+)2(C)CC#C(Br)
OCC(c1ccccc1)C(=O)OC1CC2CCC(C1)(N+)2(C)CC#C
STK033780
ZINC000103630073
ZINC000252441317

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Available files

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