Vitas-M small molecule compound
(4aS,4bR,6aS,6bS,9aR)-4b-fluoro-5-hydroxy-6b-(hydroxyacetyl)-4a,6a,8,8-tetramethyl-4a,4b,5,6,6a,6b,9a,10,10a,10b,11,12-dodecahydro-2H-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-2-one
Catalog ID
STK054055
SMILES OCC(=O)[C@@]12OC(O[C@@H]1CC1[C@]2(C)CC(O)[C@]2(C1CCC1=CC(=O)C=C[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 C24H31FO6 MW 434.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31FO6/c1-20(2)30-19-10-16-15-6-5-13-9-14(27)7-8-21(13,3)23(15,25)17(28)11-22(16,4)24(19,31-20)18(29)12-26/h7-9,15-17,19,26,28H,5-6,10-12H2,1-4H3/t15?,16?,17?,19-,21+,22+,23+,24-/m1/s1InChIKey
YNDXUCZADRHECN-CUOQJSEYSA-NSynonyms
(4aS4bR6aS6bS9aR)4bfluoro5hydroxy6b(hydroxyacetyl)4a6a88tetramethyl4a4b566a6b9a1010a10b1112dodecahydro2Hnaphtho(2145)indeno(12d)(13)dioxol2one
(6aS6bR8aS8bS11aR)6bfluoro7hydroxy8b(2hydroxyacetyl)6a8a1010tetramethyl6a6b788a8b11a1212a12bdecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol4(2H)one
CC1(OC2CC3C4CCC5=CC(=O)C=CC5(C4(C(CC3(C2(O1)C(=O)CO)C)O)F)C)C
InChI=1SC24H31FO6c120(2)30191016156513914(27)7821(133)23(1525)17(28)1122(164)24(193120)18(29)1226h791517192628H561012H214H3t15?16?17?1921+22+23+24m1s1
OCC(=O)(C@@)12OC(O(C@@H)1CC1(C@)2(C)CC(O)(C@)2(C1CCC1=CC(=O)C=C(C@)21C)F)(C)C
STK054055
ZINC000003875481
ZINC000009270410
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.