Vitas-M small molecule compound

methyl 2-[(3aR,4S,8aR,8bS)-4-[(4-methoxyphenyl)carbonyl]-1,3-dioxooctahydropyrrolo[3,4-a]pyrrolizin-2(3H)-yl]benzoate

Catalog ID
STL528041
SMILES COc1ccc(cc1)C(=O)[C@H]1N2CCC[C@@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccccc1C(=O)OC

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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 C25H24N2O6 MW 448.48 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N2O6/c1-32-15-11-9-14(10-12-15)22(28)21-20-19(18-8-5-13-26(18)21)23(29)27(24(20)30)17-7-4-3-6-16(17)25(31)33-2/h3-4,6-7,9-12,18-21H,5,8,13H2,1-2H3/t18-,19-,20-,21+/m1/s1
InChIKey
PFBOSWJHAKQKSQ-NCYKPQTJSA-N
Synonyms
956915-33-6
16398981
956915336
COc1ccc(cc1)C(=O)(C@H)1N2CCC(C@@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1C(=O)OC
InChI=1SC25H24N2O6c1321511914(101215)22(28)212019(18851326(18)21)23(29)27(24(20)30)17743616(17)25(31)332h34679121821H5813H212H3t18192021+m1s1
methyl2((3~(a)~(R)4~(S)8~(a)~(R)8~(b)~(S))4(4methoxybenzoyl)13dioxo46788~(a)8~(b)hexahydro3~(a)~(H)pyrrolo(34a)pyrrolizin2yl)benzoate
methyl2((3aR4S8aR8bS)4((4methoxyphenyl)carbonyl)13dioxooctahydropyrrolo(34a)pyrrolizin2(3H)yl)benzoate
methyl2((3aR4S8aR8bS)4(4methoxybenzoyl)13dioxooctahydropyrrolo(34a)pyrrolizin2(3H)yl)benzoate
MFCD03853233
ZINC000033730901
ZINC33730901

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Available files

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