Vitas-M small molecule compound
N-[(3-{2-[(1S,5S,8aR)-5-(methoxycarbonyl)-5,8a-dimethyl-2-methylidenedecahydronaphthalen-1-yl]ethyl}furan-2-yl)methyl]alanine
Catalog ID
STL526341
SMILES COC(=O)[C@@]1(C)CCC[C@]2(C1CCC(=C)[C@@H]2CCc1ccoc1CNC(C(=O)O)C)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 C25H37NO5 MW 431.57 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37NO5/c1-16-7-10-21-24(3,12-6-13-25(21,4)23(29)30-5)19(16)9-8-18-11-14-31-20(18)15-26-17(2)22(27)28/h11,14,17,19,21,26H,1,6-10,12-13,15H2,2-5H3,(H,27,28)/t17?,19-,21?,24+,25-/m0/s1InChIKey
WSZZGSWXNSKKNT-UNAAHQEJSA-NSynonyms
16397284
2(((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)amino)propanoicacid
2((3(2((1~(S)5~(S)8~(a)~(R))5methoxycarbonyl58~(a)dimethyl2methylidene344~(a)678hexahydro1~(H)naphthalen1yl)ethyl)furan2yl)methylamino)propanoicacid
COC(=O)(C@@)1(C)CCC(C@)2(C1CCC(=C)(C@@H)2CCc1ccoc1CNC(C(=O)O)C)C
InChI=1SC25H37NO5c1167102124(31261325(214)23(29)305)19(16)981811143120(18)152617(2)22(27)28h111417192126H1610121315H225H3(H2728)t17?1921?24+25m0s1
MFCD02925663
N((3(2((1S5S8aR)5(methoxycarbonyl)58adimethyl2methylidenedecahydronaphthalen1yl)ethyl)furan2yl)methyl)alanine
ZINC000004028989
ZINC000004028992
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