Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-5-methoxy-2'-(2-methyl-5-nitrophenyl)-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
STL040617
SMILES COc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1C)[N+](=O)[O-]
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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 C24H22N4O6 MW 462.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O6/c1-12-5-6-13(28(32)33)10-18(12)27-21(29)19-17-4-3-9-26(17)24(20(19)22(27)30)15-11-14(34-2)7-8-16(15)25-23(24)31/h5-8,10-11,17,19-20H,3-4,9H2,1-2H3,(H,25,31)/t17-,19+,20-,24+/m0/s1InChIKey
AKOZZOGJIMQJRC-QLBZUPSYSA-NSynonyms
1013983-46-4(3S3aR8aS8bS)5methoxy2(2methyl5nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5methoxy2(2methyl5nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5methoxy2(2methyl5nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013983464
CC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)OC)NC5=O
COc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1C)(N+)(=O)(O)
InChI=1SC24H22N4O6c1125613(28(32)33)1018(12)2721(29)191743926(17)24(20(19)22(27)30)151114(342)7816(15)2523(24)31h581011171920H349H212H3(H2531)t1719+2024+m0s1
MFCD18248046
ZINC000015996696
ZINC15996696
Check stock
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Check stock on Vitas-MAvailable files
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