Vitas-M small molecule compound
methyl 2-[(3S,3a'R,8a'S,8b'S)-5-ethyl-1',2,3'-trioxo-1,1',2,3',3a',6',7',8',8a',8b'-decahydro-2'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizin]-2'-yl]benzoate
Catalog ID
STL531469
SMILES CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[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 C26H25N3O5 MW 459.50 g/mol Purity >90% as per NMR
InChI
InChI=1S/C26H25N3O5/c1-3-14-10-11-17-16(13-14)26(25(33)27-17)21-20(19-9-6-12-28(19)26)22(30)29(23(21)31)18-8-5-4-7-15(18)24(32)34-2/h4-5,7-8,10-11,13,19-21H,3,6,9,12H2,1-2H3,(H,27,33)/t19-,20+,21-,26+/m0/s1InChIKey
GUZDMUFNZNVQGQ-KKPNIWNPSA-NSynonyms
956991-20-116403524
956991201
CCc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccccc1C(=O)OC
InChI=1SC26H25N3O5c131410111716(1314)26(25(33)2717)2120(19961228(19)26)22(30)29(23(21)31)18854715(18)24(32)342h45781011131921H36912H212H3(H2733)t1920+2126+m0s1
methyl2((3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))5ethyl123trioxospiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)2yl)benzoate
methyl2((3S3aR8aS8bS)5ethyl123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)benzoate
methyl2((3S3aR8aS8bS)5ethyl123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)benzoate
MFCD06495976
ZINC000015959057
ZINC15959057
Check stock
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Check stock on Vitas-MAvailable files
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