Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-(((3-(dibutylamino)propyl)amino)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one oxalate
Catalog ID
STL528860
SMILES CCCCN(CCCC)CCCNCC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)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 C26H46N2O2 MW 418.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H46N2O2/c1-5-7-14-28(15-8-6-2)16-10-13-27-19-22-21-17-23-20(3)11-9-12-26(23,4)18-24(21)30-25(22)29/h17,20-22,24,27H,5-16,18-19H2,1-4H3/t20-,21+,22?,24+,26+/m0/s1InChIKey
FGNDTNHMDIFKKW-LITDYDCBSA-NSynonyms
(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((3(dibutylamino)propylamino)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3(((3(dibutylamino)propyl)amino)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)oneoxalate
16400681
InChI=1SC26H46N2O2c1571428(15862)16101327192221172320(3)1191226(234)1824(21)3025(22)29h1720222427H5161819H214H3t2021+22?24+26+m0s1
MFCD32649896
OC(=O)C(=O)OCCCCN(CCCC)CCCNCC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
ZINC000004073592
ZINC000012865636
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