Vitas-M small molecule compound
(3S,3aR,4aR,8aR,9aR)-3-(((3-(dibutylamino)propyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one oxalate
Catalog ID
STL529401
SMILES CCCCN(CCCC)CCCNCC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCCC21OC2
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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 C26H46N2O3 MW 434.66 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H46N2O3/c1-4-6-13-28(14-7-5-2)15-9-12-27-18-21-20-16-23-25(3,17-22(20)31-24(21)29)10-8-11-26(23)19-30-26/h20-23,27H,4-19H2,1-3H3/t20-,21?,22-,23-,25-,26?/m1/s1InChIKey
XACOJSKEQRDALU-JGSCGVLZSA-NSynonyms
(3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))3((3(dibutylamino)propylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR4aR8aR9aR)3(((3(dibutylamino)propyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2oneoxalate
16400421
InChI=1SC26H46N2O3c1461328(14752)1591227182120162325(31722(20)3124(21)29)1081126(23)193026h202327H419H213H3t2021?22232526?m1s1
OC(=O)C(=O)OCCCCN(CCCC)CCCNCC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2
ZINC000004073379
ZINC000012864620
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