Vitas-M small molecule compound
ethyl 4-(((3S,3aR,5S,8aR,9aR)-5,8a-dimethyl-2-oxo-2,3,3a,5,6,7,8,8a,9,9a-decahydronaphtho[2,3-b]furan-3-yl)methyl)piperazine-1-carboxylate oxalate
Catalog ID
STL565064
SMILES CCOC(=O)N1CCN(CC1)CC1C(=O)O[C@H]2[C@@H]1C=C1[C@@H](C)CCC[C@@]1(C2)C
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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 C22H34N2O4 MW 390.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H34N2O4/c1-4-27-21(26)24-10-8-23(9-11-24)14-17-16-12-18-15(2)6-5-7-22(18,3)13-19(16)28-20(17)25/h12,15-17,19H,4-11,13-14H2,1-3H3/t15-,16+,17?,19+,22+/m0/s1InChIKey
NGNDKPBQSHRIRV-DUXFLKNMSA-NSynonyms
16400684
ethyl4(((3aR5S8aR9aR)58adimethyl2oxo33a567899aoctahydrobenzo(f)(1)benzofuran3yl)methyl)piperazine1carboxylate
ethyl4(((3S3aR5S8aR9aR)58adimethyl2oxo233a56788a99adecahydronaphtho(23b)furan3yl)methyl)piperazine1carboxylateoxalate
InChI=1SC22H34N2O4c142721(26)2410823(91124)141716121815(2)65722(183)1319(16)2820(17)25h12151719H4111314H213H3t1516+17?19+22+m0s1
MFCD32651681
OC(=O)C(=O)OCCOC(=O)N1CCN(CC1)CC1C(=O)O(C@H)2(C@@H)1C=C1(C@@H)(C)CCC(C@@)1(C2)C
ZINC000020609750
ZINC000020609752
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