Vitas-M small molecule compound
(1aR,2S,5aR,6aR,9S,9aR,9bS)-2,5a-dimethyl-9-(pyrrolidin-1-ylmethyl)octahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL526167
SMILES O=C1O[C@H]2[C@@H](C1CN1CCCC1)[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 C19H29NO3 MW 319.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C19H29NO3/c1-12-6-5-7-18(2)10-14-15(16-19(12,18)23-16)13(17(21)22-14)11-20-8-3-4-9-20/h12-16H,3-11H2,1-2H3/t12-,13?,14+,15+,16-,18+,19-/m0/s1InChIKey
HETBODHYGDLWHI-RWKTXVOJSA-NSynonyms
1212446-33-7(1~(R)3~(S)4~(R)8~(R)10~(R)14~(S))1014dimethyl5(pyrrolidin1ylmethyl)27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
(1aR2S5aR6aR9S9aR9bS)25adimethyl9(pyrrolidin1ylmethyl)octahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
1212446337
16397083
InChI=1SC19H29NO3c11265718(2)101415(1619(1218)2316)13(17(21)2214)1120834920h1216H311H212H3t1213?14+15+1618+19m0s1
MFCD32649818
O=C1O(C@H)2(C@@H)(C1CN1CCCC1)(C@@H)1O(C@@)31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004028624
ZINC000012659980
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