Vitas-M small molecule compound
(3S,3aR,5S,8aR,9aR)-3-((4-acetylpiperazin-1-yl)methyl)-5,8a-dimethyl-3,3a,6,7,8,8a,9,9a-octahydronaphtho[2,3-b]furan-2(5H)-one
Catalog ID
STL533428
SMILES O=C1O[C@H]2[C@@H](C1CN1CCN(CC1)C(=O)C)C=C1[C@](C2)(C)CCC[C@@H]1C
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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/h11,14,16-17,19H,4-10,12-13H2,1-3H3/t14-,16+,17?,19+,21+/m0/s1InChIKey
XXPWSVXFEAFQKZ-QHMMHEGVSA-NSynonyms
956911-55-0(3~(a)~(R)5~(S)8~(a)~(R)9~(a)~(R))3((4acetylpiperazin1yl)methyl)58~(a)dimethyl33~(a)567899~(a)octahydrobenzo(f)(1)benzofuran2one
(3S3aR5S8aR9aR)3((4acetylpiperazin1yl)methyl)58adimethyl33a6788a99aoctahydronaphtho(23b)furan2(5H)one
16404142
956911550
InChI=1SC21H32N2O3c11454621(3)121916(1118(14)21)17(20(25)2619)13227923(10822)15(2)24h1114161719H4101213H213H3t1416+17?19+21+m0s1
MFCD32649949
O=C1O(C@H)2(C@@H)(C1CN1CCN(CC1)C(=O)C)C=C1(C@)(C2)(C)CCC(C@@H)1C
ZINC000020612092
ZINC000020612094
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