Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-2'-(2-methoxy-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
STK549582
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2)[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 C23H20N4O6 MW 448.44 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H20N4O6/c1-33-17-9-8-12(27(31)32)11-16(17)26-20(28)18-15-7-4-10-25(15)23(19(18)21(26)29)13-5-2-3-6-14(13)24-22(23)30/h2-3,5-6,8-9,11,15,18-19H,4,7,10H2,1H3,(H,24,30)/t15-,18+,19-,23+/m0/s1InChIKey
ZVKMTAKXNRSMST-NSNOHRKYSA-NSynonyms
1014080-72-8(3S3aR8aS8bS)2(2methoxy5nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2methoxy5nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(2methoxy5nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014080728
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=CC=CC=C6NC5=O
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2)(N+)(=O)(O)
InChI=1SC23H20N4O6c133179812(27(31)32)1116(17)2620(28)1815741025(15)23(19(18)21(26)29)13523614(13)2422(23)30h23568911151819H4710H21H3(H2430)t1518+1923+m0s1
MFCD18242477
ZINC000020190724
ZINC20190724
Check stock
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Check stock on Vitas-MAvailable files
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