Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-(((2-(1H-indol-3-yl)ethyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL534183
SMILES O=C1O[C@H]2[C@@H](C1CNCCc1c[nH]c3c1cccc3)CC1[C@](C2)(C)CCCC21OC2
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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/c1-24-8-4-9-25(15-29-25)22(24)11-18-19(23(28)30-21(18)12-24)14-26-10-7-16-13-27-20-6-3-2-5-17(16)20/h2-3,5-6,13,18-19,21-22,26-27H,4,7-12,14-15H2,1H3/t18-,19?,21-,22?,24-,25?/m1/s1InChIKey
QKDHNIHOHJXFFG-CSKOGEAYSA-NSynonyms
1212434-46-2(3~(a)~(R)8~(a)~(R)9~(a)~(R))3((2(1~(H)indol3yl)ethylamino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
(3S3aR8aR9aR)3(((2(1Hindol3yl)ethyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
1212434462
16404272
InChI=1SC25H32N2O3c12484925(152925)22(24)111819(23(28)3021(18)1224)142610716132720632517(16)20h235613181921222627H47121415H21H3t1819?2122?2425?m1s1
O=C1O(C@H)2(C@@H)(C1CNCCc1c(nH)c3c1cccc3)CC1(C@)(C2)(C)CCCC21OC2
ZINC000004085118
ZINC000082051850
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