Vitas-M small molecule compound
(4aR,6aS,6bR,9aR)-4a,6a,8,8-tetramethyl-2-oxo-2,3,4,4a,4b,5,6,6a,9a,10,10a,10b,11,12-tetradecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxole-6b-carbonitrile
Catalog ID
STL525902
SMILES N#C[C@@]12OC(O[C@@H]1CC1[C@]2(C)CCC2C1CCC1=CC(=O)CC[C@]21C)(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 C23H31NO3 MW 369.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H31NO3/c1-20(2)26-19-12-18-16-6-5-14-11-15(25)7-9-21(14,3)17(16)8-10-22(18,4)23(19,13-24)27-20/h11,16-19H,5-10,12H2,1-4H3/t16?,17?,18?,19-,21+,22+,23-/m1/s1InChIKey
JQXOTYALWMLXAU-ROKHRGIDSA-NSynonyms
(4~(R)8~(R)9~(S)13~(R))66913tetramethyl16oxo57dioxapentacyclo(10800^(29)0^(48)0^(1318))icos17ene8carbonitrile
(4aR6aS6bR9aR)4a6a88tetramethyl2oxo2344a4b566a9a1010a10b1112tetradecahydro6bHnaphtho(2145)indeno(12d)(13)dioxole6bcarbonitrile
(6aR8aS8bR11aR)6a8a1010tetramethyl4oxo24566a6b788a8b11a1212a12btetradecahydro1Hnaphtho(2145)indeno(12d)(13)dioxole8bcarbonitrile
16396383
InChI=1SC23H31NO3c120(2)261912181665141115(25)7921(143)17(16)81022(184)23(191324)2720h111619H51012H214H3t16?17?18?1921+22+23m1s1
MFCD01845099
N#C(C@@)12OC(O(C@@H)1CC1(C@)2(C)CCC2C1CCC1=CC(=O)CC(C@)21C)(C)C
ZINC000004027293
ZINC000038549763
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