Vitas-M small molecule compound
(3S,3aR,8aR,9aR)-3-((3,4-dihydroisoquinolin-2(1H)-yl)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL547476
SMILES O=C1O[C@H]2[C@@H](C1CN1CCc3c(C1)cccc3)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 C24H31NO3 MW 381.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H31NO3/c1-23-8-4-9-24(15-27-24)21(23)11-18-19(22(26)28-20(18)12-23)14-25-10-7-16-5-2-3-6-17(16)13-25/h2-3,5-6,18-21H,4,7-15H2,1H3/t18-,19?,20-,21?,23-,24?/m1/s1InChIKey
QRQMVOJVQOCKSG-SFEXKNEUSA-NSynonyms
(2R3S3aR8aR9aR)3((34dihydroisoquinolin2(1H)yl)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)8~(a)~(R)9~(a)~(R))3(34dihydro1~(H)isoquinolin2ylmethyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
135639769
InChI=1SC24H31NO3c12384924(152724)21(23)111819(22(26)2820(18)1223)142510716523617(16)1325h23561821H4715H21H3t1819?2021?2324?m1s1
O=C1O(C@H)2(C@@H)(C1CN1CCc3c(C1)cccc3)CC1(C@)(C2)(C)CCC(C@)21OC2
ZINC000004028450
ZINC000012659756
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