Vitas-M small molecule compound
(3S,3a'R,8a'S,8b'S)-5-bromo-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
STK569065
SMILES COc1ccc(cc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(Br)cc2)[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 C23H19BrN4O6 MW 527.33 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H19BrN4O6/c1-34-17-7-5-12(28(32)33)10-16(17)27-20(29)18-15-3-2-8-26(15)23(19(18)21(27)30)13-9-11(24)4-6-14(13)25-22(23)31/h4-7,9-10,15,18-19H,2-3,8H2,1H3,(H,25,31)/t15-,18+,19-,23+/m0/s1InChIKey
UACZHXRJBAQXAZ-NSNOHRKYSA-NSynonyms
1013852-79-3(3S3aR8aS8bS)5bromo2(2methoxy5nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5bromo2(2methoxy5nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5bromo2(2methoxy5nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013852793
COC1=C(C=C(C=C1)(N+)(=O)(O))N2C(=O)C3C4CCCN4C5(C3C2=O)C6=C(C=CC(=C6)Br)NC5=O
COc1ccc(cc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(Br)cc2)(N+)(=O)(O)
InChI=1SC23H19BrN4O6c134177512(28(32)33)1016(17)2720(29)181532826(15)23(19(18)21(27)30)13911(24)4614(13)2522(23)31h47910151819H238H21H3(H2531)t1518+1923+m0s1
MFCD18245267
ZINC000101165413
ZINC101165413
Check stock
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Check stock on Vitas-MAvailable files
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