Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((4-acetylpiperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,8,8a,9,9a-hexahydronaphtho[2,3-b]furan-2(7H)-one
Catalog ID
STL532490
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)C)C=C1[C@](C2)(C)CCC=C1C
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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 C21H30N2O3 MW 358.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C21H30N2O3/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/h5,11,16-17,19H,4,6-10,12-13H2,1-3H3/t16-,17?,19-,21-/m1/s1InChIKey
UYSXNCFZCCQNEU-GHWSDNEESA-NSynonyms
956972-43-3(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((4acetylpiperazin1yl)methyl)58~(a)dimethyl33~(a)7899~(a)hexahydrobenzo(f)(1)benzofuran2one
(3S3aR8aR9aR)3((4acetylpiperazin1yl)methyl)58adimethyl33a88a99ahexahydronaphtho(23b)furan2(7H)one
16404773
956972433
InChI=1SC21H30N2O3c11454621(3)121916(1118(14)21)17(20(25)2619)13227923(10822)15(2)24h511161719H46101213H213H3t1617?1921m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)C)C=C1(C@)(C2)(C)CCC=C1C
ZINC000020755673
ZINC000020755680
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