Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-(((furan-2-ylmethyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL534269
SMILES O=C1O[C@H]2[C@@H](C1CNCc1ccco1)C1OC31[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 C20H27NO4 MW 345.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H27NO4/c1-12-5-3-7-19(2)9-15-16(17-20(12,19)25-17)14(18(22)24-15)11-21-10-13-6-4-8-23-13/h4,6,8,12,14-17,21H,3,5,7,9-11H2,1-2H3/t12-,14?,15+,16+,17?,19+,20?/m0/s1InChIKey
DPPIWYDVSJYNIM-STNZIBJUSA-NSynonyms
1214633-32-5(2S5aR6aR9S9aR)9(((furan2ylmethyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((furan2ylmethylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1214633325
16404139
InChI=1SC20H27NO4c11253719(2)91516(1720(1219)2517)14(18(22)2415)112110136482313h46812141721H357911H212H3t1214?15+16+17?19+20?m0s1
MFCD32649972
O=C1O(C@H)2(C@@H)(C1CNCc1ccco1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004084951
ZINC000100773433
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