Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-((isobutylamino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL562432
SMILES CC(CNCC1C(=O)O[C@H]2[C@@H]1[C@@H]1O[C@@]31[C@](C2)(C)CCC[C@@H]3C)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 C19H31NO3 MW 321.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H31NO3/c1-11(2)9-20-10-13-15-14(22-17(13)21)8-18(4)7-5-6-12(3)19(18)16(15)23-19/h11-16,20H,5-10H2,1-4H3/t12-,13?,14+,15+,16-,18+,19-/m0/s1InChIKey
WETIJPHEISNOPS-RWKTXVOJSA-NSynonyms
956975-77-2(1aR2S5aR6aR9S9aR9bS)9((isobutylamino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(1R3S4R8R10R14S)1014dimethyl5((2methylpropylamino)methyl)27dioxatetracyclo(840013048)tetradecan6one
16396982
956975772
CC(CNCC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C)C
InChI=1SC19H31NO3c111(2)92010131514(2217(13)21)818(4)75612(3)19(18)16(15)2319h111620H510H214H3t1213?14+15+1618+19m0s1
MFCD32651257
ZINC000004028490
ZINC000012659800
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