Vitas-M small molecule compound
2-[(4aR,6aS,6bS,9aR)-5-hydroxy-4a,6a-dimethyl-2-oxo-8-propyl-2,4a,4b,5,6,6a,9a,10,10a,10b,11,12-dodecahydro-6bH-naphtho[2',1':4,5]indeno[1,2-d][1,3]dioxol-6b-yl]-2-oxoethyl methanesulfonate
Catalog ID
STL525688
SMILES CCCC1O[C@H]2[C@](O1)(C(=O)COS(=O)(=O)C)[C@@]1(C(C2)C2CCC3=CC(=O)C=C[C@@]3(C2C(C1)O)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 C26H36O8S MW 508.63 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H36O8S/c1-5-6-22-33-21-12-18-17-8-7-15-11-16(27)9-10-24(15,2)23(17)19(28)13-25(18,3)26(21,34-22)20(29)14-32-35(4,30)31/h9-11,17-19,21-23,28H,5-8,12-14H2,1-4H3/t17?,18?,19?,21-,22?,23?,24+,25+,26-/m1/s1InChIKey
UNRWYSJKJKUNPJ-FHHKUISVSA-NSynonyms
(2((4~(R)8~(S)9~(S)13~(R))11hydroxy913dimethyl16oxo6propyl57dioxapentacyclo(10800^(29)0^(48)0^(1318))icosa1417dien8yl)2oxoethyl)methanesulfonate
135639080
2((4aR6aS6bS9aR)5hydroxy4a6adimethyl2oxo8propyl24a4b566a9a1010a10b1112dodecahydro6bHnaphtho(2145)indeno(12d)(13)dioxol6byl)2oxoethylmethanesulfonate
2((6aR6bS7S8aS8bS11aR12aS12bS)7hydroxy6a8adimethyl4oxo10propyl246a6b788a8b11a1212a12bdodecahydro1Hnaphtho(2145)indeno(12d)(13)dioxol8byl)2oxoethylmethanesulfonate
CCCC1O(C@H)2(C@)(O1)(C(=O)COS(=O)(=O)C)(C@@)1((C@@H)(C2)(C@@H)2CCC3=CC(=O)C=C(C@@)3((C@H)2(C@H)(C1)O)C)C
InChI=1SC26H36O8Sc15622332112181787151116(27)91024(152)23(17)19(28)1325(183)26(213422)20(29)143235(430)31h9111719212328H581214H214H3t17?18?19?2122?23?24+25+26m1s1
MFCD01548231
ZINC000006501236
ZINC001772491990
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