Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-(2-hydroxyethyl)piperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL527780
SMILES OCCN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1CC1C(=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 C21H34N2O3 MW 362.51 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H34N2O3/c1-15-4-3-5-21(2)13-19-16(12-18(15)21)17(20(25)26-19)14-23-8-6-22(7-9-23)10-11-24/h16-19,24H,1,3-14H2,2H3/t16-,17?,18?,19-,21-/m1/s1InChIKey
OIXWLFJIDUVQFO-UCMFBROFSA-NSynonyms
1212450-60-6(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4(2hydroxyethyl)piperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4(2hydroxyethyl)piperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
1212450606
16398313
InChI=1SC21H34N2O3c11543521(2)131916(1218(15)21)17(20(25)2619)14238622(7923)101124h161924H1314H22H3t1617?18?1921m1s1
OCCN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1CC1C(=C)CCC(C@@)1(C2)C
ZINC000020410616
ZINC000020410626
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