Vitas-M small molecule compound
tert-butyl 4-[(tert-butoxycarbonyl)amino]-5-oxo-5-[(1R,5R)-8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl]pentanoate
Catalog ID
STL526513
SMILES O=C(OC(C)(C)C)NC(C(=O)N1C[C@H]2C[C@@H](C1)c1n(C2)c(=O)ccc1)CCC(=O)OC(C)(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 C25H37N3O6 MW 475.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H37N3O6/c1-24(2,3)33-21(30)11-10-18(26-23(32)34-25(4,5)6)22(31)27-13-16-12-17(15-27)19-8-7-9-20(29)28(19)14-16/h7-9,16-18H,10-15H2,1-6H3,(H,26,32)/t16-,17+,18?/m0/s1InChIKey
BJMBJJIDJJVYHJ-MYFVLZFPSA-NSynonyms
1192476-17-7~(tert)butyl4((2methylpropan2yl)oxycarbonylamino)5oxo5((1~(R)9~(S))6oxo711diazatricyclo(7310^(27))trideca24dien11yl)pentanoate
1192476177
16397351
InChI=1SC25H37N3O6c124(23)3321(30)111018(2623(32)3425(45)6)22(31)2713161217(1527)1987920(29)28(19)1416h791618H1015H216H3(H2632)t1617+18?m0s1
MFCD06763818
O=C(OC(C)(C)C)NC(C(=O)N1C(C@@H)2C(C@H)(C1)c1n(C2)c(=O)ccc1)CCC(=O)OC(C)(C)C
tertbutyl4((tertbutoxycarbonyl)amino)5oxo5((1R5R)8oxo1568tetrahydro2H15methanopyrido(12a)(15)diazocin3(4H)yl)pentanoate
tertbutyl4((tertbutoxycarbonyl)amino)5oxo5((1R5S)8oxo56dihydro1H15methanopyrido(12a)(15)diazocin3(2H4H8H)yl)pentanoate
ZINC000002139965
ZINC000002139967
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.