Vitas-M small molecule compound
4-[(3a'S,6a'R)-3'-(3,4-dihydroxybenzyl)-5-ethyl-2,4',6'-trioxo-1,2,2',3',3a',4',6',6a'-octahydro-5'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrol]-5'-yl]phenyl acetate
Catalog ID
STL565600
SMILES CCc1ccc2c(c1)C1(NC([C@@H]3[C@H]1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)Cc1ccc(c(c1)O)O)C(=O)N2
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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 C30H27N3O7 MW 541.56 g/mol Purity >90% as per NMR
InChI
InChI=1S/C30H27N3O7/c1-3-16-4-10-21-20(12-16)30(29(39)31-21)26-25(22(32-30)13-17-5-11-23(35)24(36)14-17)27(37)33(28(26)38)18-6-8-19(9-7-18)40-15(2)34/h4-12,14,22,25-26,32,35-36H,3,13H2,1-2H3,(H,31,39)/t22?,25-,26+,30?/m1/s1InChIKey
DEYSWADUDUVMAW-XRFLLGRSSA-NSynonyms
957031-19-5(4((3aR6aS)1((34dihydroxyphenyl)methyl)5ethyl246trioxospiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)5yl)phenyl)acetate
16404967
4((3aS6aR)3(34dihydroxybenzyl)5ethyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)phenylacetate
4((3aS6aR)3(34dihydroxybenzyl)5ethyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)phenylacetate
957031195
CCc1ccc2c(c1)C1(NC((C@@H)3(C@H)1C(=O)N(C3=O)c1ccc(cc1)OC(=O)C)Cc1ccc(c(c1)O)O)C(=O)N2
InChI=1SC30H27N3O7c13164102120(1216)30(29(39)3121)2625(22(3230)131751123(35)24(36)1417)27(37)33(28(26)38)186819(9718)4015(2)34h41214222526323536H313H212H3(H3139)t22?2526+30?m1s1
ZINC000070701240
ZINC000070701248
Check stock
See real-time availability and sample size for STL565600 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
Download the SDF, MOL, 3D structure and SDS documents from Vitas-M.