Vitas-M small molecule compound
(4aR,6aS,6bS,9aR,12S)-12-fluoro-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-3,4,4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-tetradecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Catalog ID
STL525800
SMILES OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1C[C@@H](C1=CC(=O)CC[C@]21C)F)(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 C24H33FO5 MW 420.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H33FO5/c1-21(2)29-20-11-16-14-10-18(25)17-9-13(27)5-7-22(17,3)15(14)6-8-23(16,4)24(20,30-21)19(28)12-26/h9,14-16,18,20,26H,5-8,10-12H2,1-4H3/t14?,15?,16?,18-,20+,22+,23-,24+/m0/s1InChIKey
DQXQPCJFQLIAJD-LQKSSGOGSA-NSynonyms
(2S6aR6bS8aS8bS11aR12aS12bR)2fluoro8b(2hydroxyacetyl)6a8a1010tetramethyl566a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol4(2H)one
(4~(R)8~(S)9~(S)13~(R)19~(S))19fluoro8(2hydroxyacetyl)66913tetramethyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icos17en16one
(4aR6aS6bS9aR12S)12fluoro6b(hydroxyacetyl)4a6a88tetramethyl344a4b566a6b9a1010a10b1112tetradecahydro2Hnaphtho(2145)indeno(12d)(13)dioxol2one
135639089
InChI=1SC24H33FO5c121(2)29201116141018(25)17913(27)5722(173)15(14)6823(164)24(203021)19(28)1226h91416182026H581012H214H3t14?15?16?1820+22+2324+m0s1
MFCD01544366
OCC(=O)(C@@)12OC(O(C@@H)1C(C@@H)1(C@)2(C)CC(C@H)2(C@H)1C(C@@H)(C1=CC(=O)CC(C@)21C)F)(C)C
ZINC000005425716
ZINC001772491852
Check stock
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Check stock on Vitas-MAvailable files
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