Vitas-M small molecule compound

(1aR,2S,5aR,6aR,9S,9aR,9bS)-9-(((3-hydroxypropyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one

Catalog ID
STL562471
SMILES OCCCNCC1C(=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 C18H29NO4 MW 323.43 g/mol Purity >90% as per NMR
InChI
InChI=1S/C18H29NO4/c1-11-5-3-6-17(2)9-13-14(15-18(11,17)23-15)12(16(21)22-13)10-19-7-4-8-20/h11-15,19-20H,3-10H2,1-2H3/t11-,12?,13+,14+,15-,17+,18-/m0/s1
InChIKey
JTRRPZVFSRBZIV-DQKVCFGOSA-N
Synonyms
956983-17-8
(1aR2S5aR6aR9S9aR9bS)9(((3hydroxypropyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(1R3S4R8R10R14S)5((3hydroxypropylamino)methyl)1014dimethyl27dioxatetracyclo(840013048)tetradecan6one
16396940
956983178
InChI=1SC18H29NO4c11153617(2)91314(1518(1117)2315)12(16(21)2213)101974820h11151920H310H212H3t1112?13+14+1517+18m0s1
MFCD32651268
OCCCNCC1C(=O)O(C@H)2(C@@H)1(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004028428
ZINC000012659739

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Available files

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