Vitas-M small molecule compound
(1R,4aR,9aR,10R,13bS)-8,10-dimethoxy-2-methyl-13,13-dioxido-1,2,3,4,9a,10,10a,13a-octahydro-10,13b-etheno-1,5-methano[1]benzofuro[3,2-e]thieno[3,2-h]isoquinolin-11-yl 4-methylbenzenesulfonate
Catalog ID
STL529335
SMILES COc1ccc2c3c1O[C@@H]1[C@@]43CCN([C@H](C2)[C@@]24C=C[C@@]1(OC)C1C2S(=O)(=O)C=C1OS(=O)(=O)c1ccc(cc1)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 C30H31NO8S2 MW 597.71 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H31NO8S2/c1-17-5-8-19(9-6-17)41(34,35)39-21-16-40(32,33)26-24(21)30(37-4)12-11-28(26)22-15-18-7-10-20(36-3)25-23(18)29(28,27(30)38-25)13-14-31(22)2/h5-12,16,22,24,26-27H,13-15H2,1-4H3/t22-,24?,26?,27-,28+,29+,30-/m1/s1InChIKey
DCZYXTFPZNWWQB-RMISTTHDSA-NSynonyms
315188-67-1((1~(S)2~(R)6~(R)14~(R)15~(R))1115dimethoxy5methyl1919dioxo13oxa19$l^(6)thia5azaheptacyclo(13521^(28)0^(16)0^(214)0^(1620)0^(1223))tricosa8(23)9111721pentaen17yl)4methylbenzenesulfonate
(1R4aR9aR10R13bS)810dimethoxy2methyl1313dioxido12349a1010a13aoctahydro1013betheno15methano(1)benzofuro(32e)thieno(32h)isoquinolin11yl4methylbenzenesulfonate
(1R4aR9aR10R13bS)810dimethoxy2methyl1313dioxido12349a1010a13aoctahydro1013betheno15methanobenzofuro(32e)thieno(32h)isoquinolin11yl4methylbenzenesulfonate
16395454
315188671
COc1ccc2c3c1O(C@@H)1(C@@)43CCN((C@H)(C2)(C@@)24C=C(C@@)1(OC)C1C2S(=O)(=O)C=C1OS(=O)(=O)c1ccc(cc1)C)C
InChI=1SC30H31NO8S2c1175819(9617)41(3435)39211640(3233)2624(21)30(374)121128(26)22151871020(363)2523(18)29(2827(30)3825)131431(22)2h5121622242627H1315H214H3t2224?26?2728+29+30m1s1
MFCD01545037
ZINC000070665014
ZINC000070665020
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