Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-((4-methylpiperazin-1-yl)methyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL527602
SMILES CN1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C
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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 C20H32N2O3 MW 348.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H32N2O3/c1-13-5-4-6-19(2)11-15-16(17-20(13,19)25-17)14(18(23)24-15)12-22-9-7-21(3)8-10-22/h13-17H,4-12H2,1-3H3/t13-,14?,15+,16+,17-,19+,20-/m0/s1InChIKey
UVBXCDUMHJEYSC-XVHYXPGLSA-NSynonyms
1214627-42-5(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl5((4methylpiperazin1yl)methyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)25adimethyl9((4methylpiperazin1yl)methyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
1214627425
16398080
CN1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
InChI=1SC20H32N2O3c11354619(2)111516(1720(1319)2517)14(18(23)2415)12229721(3)81022h1317H412H213H3t1314?15+16+1719+20m0s1
MFCD32649872
ZINC000020113967
ZINC000020113970
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