Vitas-M small molecule compound
(2S,5aR,6aR,9S,9aR)-9-(((2-(1H-indol-3-yl)ethyl)amino)methyl)-2,5a-dimethyloctahydro-2H-oxireno[2',3':4,4a]naphtho[2,3-b]furan-8(9bH)-one
Catalog ID
STL533893
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1c[nH]c3c1cccc3)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 C25H32N2O3 MW 408.54 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H32N2O3/c1-15-6-5-10-24(2)12-20-21(22-25(15,24)30-22)18(23(28)29-20)14-26-11-9-16-13-27-19-8-4-3-7-17(16)19/h3-4,7-8,13,15,18,20-22,26-27H,5-6,9-12,14H2,1-2H3/t15-,18?,20+,21+,22?,24+,25?/m0/s1InChIKey
COACIYPSALVTGG-XWPKLMFOSA-NSynonyms
1212466-86-8(2S5aR6aR9S9aR)9(((2(1Hindol3yl)ethyl)amino)methyl)25adimethyloctahydro2Hoxireno(2344a)naphtho(23b)furan8(9bH)one
(4~(R)8~(R)10~(R)14~(S))5((2(1~(H)indol3yl)ethylamino)methyl)1014dimethyl27dioxatetracyclo(8400^(13)0^(48))tetradecan6one
1212466868
16404403
InChI=1SC25H32N2O3c115651024(2)122021(2225(1524)3022)18(23(28)2920)142611916132719843717(16)19h347813151820222627H5691214H212H3t1518?20+21+22?24+25?m0s1
MFCD32649958
O=C1O(C@H)2(C@@H)(C1CNCCc1c(nH)c3c1cccc3)C1OC31(C@)(C2)(C)CCC(C@@H)3C
ZINC000004085281
ZINC000100774626
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