Vitas-M small molecule compound
(2'R,3S,3aR,4aR,8aR,9aR)-3-((((1,3-dioxolan-2-yl)methyl)(methyl)amino)methyl)-8a-methyldecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-2-one
Catalog ID
STL542534
SMILES CN(CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[C@](C2)(C)CCC[C@]21OC2)CC1OCCO1
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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 C20H31NO5 MW 365.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C20H31NO5/c1-19-4-3-5-20(12-25-20)16(19)8-13-14(18(22)26-15(13)9-19)10-21(2)11-17-23-6-7-24-17/h13-17H,3-12H2,1-2H3/t13-,14?,15-,16-,19-,20+/m1/s1InChIKey
MQJLEBPDEFQAAQ-MCUSIYPYSA-NSynonyms
956148-72-4(2R3S3aR4aR8aR9aR)3((((13dioxolan2yl)methyl)(methyl)amino)methyl)8amethyldecahydro2Hspiro(naphtho(23b)furan52oxiran)2one
(3~(a)~(R)4~(a)~(R)5~(R)8~(a)~(R)9~(a)~(R))3((13dioxolan2ylmethyl(methyl)amino)methyl)8~(a)methylspiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)2one
16401162
956148724
CN(CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCC(C@)21OC2)CC1OCCO1
InChI=1SC20H31NO5c11943520(122520)16(19)81314(18(22)2615(13)919)1021(2)111723672417h1317H312H212H3t1314?15161920+m1s1
ZINC000059478065
ZINC000061997643
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