Vitas-M small molecule compound
(4R,5E,11aS)-4-hydroxy-6,10-dimethyl-3-(piperidin-1-ylmethyl)-3a,4,7,8,11,11a-hexahydrocyclodeca[b]furan-2(3H)-one
Catalog ID
STL525667
SMILES CC1=CCCC(=C[C@H](C2[C@H](C1)OC(=O)C2CN1CCCCC1)O)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 C20H31NO3 MW 333.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO3/c1-14-7-6-8-15(2)12-18-19(17(22)11-14)16(20(23)24-18)13-21-9-4-3-5-10-21/h8,11,16-19,22H,3-7,9-10,12-13H2,1-2H3/b14-11+,15-8-/t16?,17-,18+,19?/m1/s1InChIKey
PBRLWNMMGXHHMD-HGBMHYRQSA-NSynonyms
(4R5E11aS)4hydroxy610dimethyl3(piperidin1ylmethyl)3a4781111ahexahydrocyclodeca(b)furan2(3H)one
(4R5E9Z11aS)4hydroxy610dimethyl3(piperidin1ylmethyl)3a4781111ahexahydrocyclodeca(b)furan2(3H)one
CC1=CCCC(=C(C@H)(C2(C@H)(C1)OC(=O)C2CN1CCCCC1)O)C
InChI=1SC20H31NO3c11476815(2)121819(17(22)1114)16(20(23)2418)132194351021h811161922H379101213H212H3b1411+158t16?1718+19?m1s1
MFCD00778796
ZINC000257199017
ZINC000257199020
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