Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-acetylpiperazin-1-yl)methyl)-8a-methyl-5-methylenedecahydronaphtho[2,3-b]furan-2(3H)-one
Catalog ID
STL531950
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)C)CC1[C@](C2)(C)CCCC1=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 C21H32N2O3 MW 360.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H32N2O3/c1-14-5-4-6-21(3)12-19-16(11-18(14)21)17(20(25)26-19)13-22-7-9-23(10-8-22)15(2)24/h16-19H,1,4-13H2,2-3H3/t16-,17?,18?,19-,21-/m1/s1InChIKey
UIGGMXAEKSOOLI-UCMFBROFSA-NSynonyms
956967-55-8(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4acetylpiperazin1yl)methyl)8~(a)methyl5methylidene3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4acetylpiperazin1yl)methyl)8amethyl5methylenedecahydronaphtho(23b)furan2(3H)one
16404639
956967558
InChI=1SC21H32N2O3c11454621(3)121916(1118(14)21)17(20(25)2619)13227923(10822)15(2)24h1619H1413H223H3t1617?18?1921m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)C)CC1(C@)(C2)(C)CCCC1=C
ZINC000020612385
ZINC000020612391
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