Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(1,3-benzodioxol-5-yl)-5-ethyl-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
STL530579
SMILES CCc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1ccc2c(c1)OCO2
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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 C25H23N3O5 MW 445.47 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H23N3O5/c1-2-13-5-7-16-15(10-13)25(24(31)26-16)21-20(17-4-3-9-27(17)25)22(29)28(23(21)30)14-6-8-18-19(11-14)33-12-32-18/h5-8,10-11,17,20-21H,2-4,9,12H2,1H3,(H,26,31)/t17-,20+,21-,25+/m0/s1InChIKey
AOGIBEHNSIMDBK-DNBVQBCISA-NSynonyms
956966-88-4(3~(S)3~(a)~(R)8~(a)~(S)8~(b)~(S))2(13benzodioxol5yl)5ethylspiro(1~(H)indole343~(a)6788~(a)8~(b)hexahydropyrrolo(34a)pyrrolizine)123trione
(3S3aR8aS8bS)2(13benzodioxol5yl)5ethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(benzo(d)(13)dioxol5yl)5ethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
16402443
956966884
CCc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1ccc2c(c1)OCO2
InChI=1SC25H23N3O5c1213571615(1013)25(24(31)2616)2120(1743927(17)25)22(29)28(23(21)30)14681819(1114)33123218h581011172021H24912H21H3(H2631)t1720+2125+m0s1
MFCD06493665
ZINC000016032752
ZINC16032752
Check stock
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Check stock on Vitas-MAvailable files
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