Vitas-M small molecule compound
Catalog ID
STK043970
SMILES OCC(c1ccccc1)C(=O)OC1CC2CC(C(C1)[N@@+]2(C)CC)O
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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 C19H28NO4 MW 334.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H28NO4/c1-3-20(2)14-9-15(11-17(20)18(22)10-14)24-19(23)16(12-21)13-7-5-4-6-8-13/h4-8,14-18,21-22H,3,9-12H2,1-2H3/q+1/t14?,15?,16?,17?,18?,20-/m0/s1InChIKey
XCNYCAGTMKJDDN-AOTQUWGHSA-NSynonyms
((8S)8ethyl6hydroxy8methyl8azoniabicyclo(321)octan3yl)3hydroxy2phenylpropanoate
CC(N+)1(C2CC(CC1C(C2)O)OC(=O)C(CO)C3=CC=CC=C3)C
InChI=1SC19H28NO4c1320(2)14915(1117(20)18(22)1014)2419(23)16(1221)137546813h4814182122H3912H212H3q+1t14?15?16?17?18?20m0s1
MFCD01547372
OCC(c1ccccc1)C(=O)OC1CC2CC(C(C1)(N@@+)2(C)CC)O
STK043970
ZINC000245253982
ZINC000245253985
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