Vitas-M small molecule compound
ethyl 4-(((3S,3aR,4aR,8aR,9aR)-8a-methyl-2-oxodecahydro-2H-spiro[naphtho[2,3-b]furan-5,2'-oxiran]-3-yl)methyl)piperazine-1-carboxylate
Catalog ID
STL541093
SMILES CCOC(=O)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C[C@@H]1[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 C22H34N2O5 MW 406.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O5/c1-3-27-20(26)24-9-7-23(8-10-24)13-16-15-11-18-21(2,12-17(15)29-19(16)25)5-4-6-22(18)14-28-22/h15-18H,3-14H2,1-2H3/t15-,16?,17-,18-,21-,22?/m1/s1InChIKey
VDRCIIMBFOKFJW-MBQOXCRMSA-NSynonyms
956974-42-816400772
956974428
CCOC(=O)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C(C@@H)1(C@)(C2)(C)CCCC21OC2
ethyl4(((3~(a)~(R)4~(a)~(R)8~(a)~(R)9~(a)~(R))8~(a)methyl2oxospiro(3~(a)44~(a)67899~(a)octahydro3~(H)benzo(f)(1)benzofuran52oxirane)3yl)methyl)piperazine1carboxylate
ethyl4(((3S3aR4aR8aR9aR)8amethyl2oxodecahydro2Hspiro(naphtho(23b)furan52oxiran)3yl)methyl)piperazine1carboxylate
InChI=1SC22H34N2O5c132720(26)249723(81024)131615111821(21217(15)2919(16)25)54622(18)142822h1518H314H212H3t1516?17182122?m1s1
ZINC000020609767
ZINC000020609773
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