Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-7-ethyl-2'-(4-methoxyphenyl)-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indole-3,4'-pyrrolo[3,4-a]pyrrolizine]-1',2,3'(1H,2'H)-trione
Catalog ID
STL533274
SMILES CCc1cccc2c1NC(=O)[C@]12N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc(cc1)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 C25H25N3O4 MW 431.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H25N3O4/c1-3-14-6-4-7-17-21(14)26-24(31)25(17)20-19(18-8-5-13-27(18)25)22(29)28(23(20)30)15-9-11-16(32-2)12-10-15/h4,6-7,9-12,18-20H,3,5,8,13H2,1-2H3,(H,26,31)/t18-,19+,20-,25+/m0/s1InChIKey
NBMWEVOYVRVNLE-PBQROFAYSA-NSynonyms
956812-75-2(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))7ethyl2(4methoxyphenyl)spiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)7ethyl2(4methoxyphenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7ethyl2(4methoxyphenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16402126
956812752
CCc1cccc2c1NC(=O)(C@)12N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc(cc1)OC
InChI=1SC25H25N3O4c13146471721(14)2624(31)25(17)2019(18851327(18)25)22(29)28(23(20)30)1591116(322)121015h4679121820H35813H212H3(H2631)t1819+2025+m0s1
MFCD06492958
ZINC000015956896
ZINC15956896
Check stock
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Check stock on Vitas-MAvailable files
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