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Vitas-M small molecule compound

(1alpha,5xi,9xi,10xi,14alpha)-20-ethyl-1,16-dimethoxyaconitane-8,14-diol

Catalog ID
STL562341
SMILES CO[C@H]1C[C@@]2(O)C3[C@H]([C@@H]1CC3C13C4C2CC1[C@H](CN4CC)CCC3OC)O

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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 C22H35NO4 MW 377.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H35NO4/c1-4-23-10-11-5-6-17(27-3)22-13(11)8-15(20(22)23)21(25)9-16(26-2)12-7-14(22)18(21)19(12)24/h11-20,24-25H,4-10H2,1-3H3/t11-,12+,13?,14?,15?,16-,17?,18?,19-,20?,21-,22?/m0/s1
InChIKey
VCOQRRVEIUTMFC-NTQRACGTSA-N
Synonyms
(1alpha5xi9xi10xi14alpha)20ethyl116dimethoxyaconitane814diol
(3R6S6aS7R7aR8S9S10S11aS12R14R)1ethyl610dimethoxytetradecahydro1H36a12(epiethane(112)triyl)79methanonaphtho(23b)azocine811adiol
CO(C@H)1C(C@@)2(O)(C@H)3(C@H)((C@@H)1C(C@H)3C13(C@H)4C2C(C@@H)1(C@H)(CN4CC)CCC3OC)O
Registry IDs
ZINC001848443471
ZINC001848443474

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Available files

Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.

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