Vitas-M small molecule compound
methyl 2-(5-fluoro-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)-4,5-dimethylthiophene-3-carboxylate
Catalog ID
STL237521
SMILES COC(=O)c1c(sc(c1C)C)N1C(=O)C2C(C1=O)C1(N3C2CCC3)C(=O)Nc2c1cc(F)cc2
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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 C24H22FN3O5S MW 483.52 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22FN3O5S/c1-10-11(2)34-21(16(10)22(31)33-3)28-19(29)17-15-5-4-8-27(15)24(18(17)20(28)30)13-9-12(25)6-7-14(13)26-23(24)32/h6-7,9,15,17-18H,4-5,8H2,1-3H3,(H,26,32)InChIKey
DWCTXZDSNYNDLN-UHFFFAOYSA-NSynonyms
CC1=C(SC(=C1C(=O)OC)N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)F)NC5=O)C
COC(=O)c1c(sc(c1C)C)N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(F)cc2
InChI=1SC24H22FN3O5Sc11011(2)3421(16(10)22(31)333)2819(29)171554827(15)24(18(17)20(28)30)13912(25)6714(13)2623(24)32h679151718H458H213H3(H2632)
methyl2((3S3aR8aS8bS)5fluoro123trioxo33a6788ahexahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)2(8bH)yl)45dimethylthiophene3carboxylate
methyl2(5fluoro123trioxo11233a6788a8bdecahydro2Hspiro(indole34pyrrolo(34a)pyrrolizin)2yl)45dimethylthiophene3carboxylate
methyl2(5fluoro123trioxospiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)2yl)45dimethylthiophene3carboxylate
MFCD24858733
ZINC000009233768
ZINC000247813447
Check stock
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Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.