Vitas-M small molecule compound
ethyl 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]benzoate
Catalog ID
STL532004
SMILES CCOC(=O)c1ccc(cc1)N1C(=O)[C@H]2[C@@H](C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(CC)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 C31H29N3O7 MW 555.59 g/mol Purity >90% as per NMR
InChI
InChI=1S/C31H29N3O7/c1-3-16-5-11-21-20(13-16)31(30(40)32-21)26-25(22(33-31)14-17-6-12-23(35)24(36)15-17)27(37)34(28(26)38)19-9-7-18(8-10-19)29(39)41-4-2/h5-13,15,22,25-26,33,35-36H,3-4,14H2,1-2H3,(H,32,40)/t22?,25-,26+,31?/m1/s1InChIKey
ZNPVSTAJCIHMET-IXVHICNASA-NSynonyms
956970-26-616406170
956970266
CCOC(=O)c1ccc(cc1)N1C(=O)(C@H)2(C@@H)(C1=O)C1(NC2Cc2ccc(c(c2)O)O)C(=O)Nc2c1cc(CC)cc2
ethyl4((3~(a)~(R)6~(a)~(S))1((34dihydroxyphenyl)methyl)5ethyl246trioxospiro(123~(a)6~(a)tetrahydropyrrolo(34c)pyrrole331~(H)indole)5yl)benzoate
ethyl4((3aS6aR)3(34dihydroxybenzyl)5ethyl246trioxo12233a466aoctahydro5Hspiro(indole31pyrrolo(34c)pyrrol)5yl)benzoate
ethyl4((3aS6aR)3(34dihydroxybenzyl)5ethyl246trioxo3a466atetrahydro2Hspiro(indoline31pyrrolo(34c)pyrrol)5(3H)yl)benzoate
InChI=1SC31H29N3O7c13165112120(1316)31(30(40)3221)2625(22(3331)141761223(35)24(36)1517)27(37)34(28(26)38)199718(81019)29(39)4142h51315222526333536H3414H212H3(H3240)t22?2526+31?m1s1
MFCD07637489
ZINC000070707096
ZINC000070707102
Check stock
See real-time availability and sample size for STL532004 on the Vitas-M platform.
Check stock on Vitas-MAvailable files
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