Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-(((3-(furan-2-yl)-4-phenylbutyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL534901
SMILES O=C1O[C@H]2[C@@H](C1CNCCC(c1ccco1)Cc1ccccc1)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 C29H37NO4 MW 463.62 g/mol Purity >90% as per NMR
InChI
InChI=1S/C29H37NO4/c1-19-8-6-13-28(2)17-24-25(26-29(19,28)34-26)22(27(31)33-24)18-30-14-12-21(23-11-7-15-32-23)16-20-9-4-3-5-10-20/h3-5,7,9-11,15,19,21-22,24-26,30H,6,8,12-14,16-18H2,1-2H3/t19-,21?,22?,24+,25+,26?,28+,29?/m0/s1InChIKey
LOSMUTSGWVORLE-FAWWKXLDSA-NSynonyms
1212473-49-8(2S5aR6aR9S9aR)9(((3(furan2yl)4phenylbutyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5(((3(furan2yl)4phenylbutyl)amino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212473498
16404391
InChI=1SC29H37NO4c119861328(2)172425(2629(1928)3426)22(27(31)3324)1830141221(23117153223)162094351020h35791115192122242630H6812141618H212H3t1921?22?24+25+26?28+29?m0s1
MFCD32649990
O=C1O(C@H)2(C@@H)(C1CNCCC(c1ccco1)Cc1ccccc1)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000108235017
ZINC000252694507
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