Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-methyl-2'-(2-methyl-3-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
STL049836
SMILES O=C1N(C(=O)[C@H]2[C@@H]1[C@]1(C(=O)Nc3c1cccc3C)N1[C@H]2CCC1)c1cccc(c1C)[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 C24H22N4O5 MW 446.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O5/c1-12-6-3-7-14-20(12)25-23(31)24(14)19-18(17-10-5-11-26(17)24)21(29)27(22(19)30)15-8-4-9-16(13(15)2)28(32)33/h3-4,6-9,17-19H,5,10-11H2,1-2H3,(H,25,31)/t17-,18+,19-,24+/m0/s1
InChIKey
MJFBFVYLUHLRPZ-UAKAABGRSA-N
Synonyms
1013887-92-7
(3S3aR8aS8bS)7methyl2(2methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7methyl2(2methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7methyl2(2methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013887927
CC1=CC=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)(N+)(=O)(O))C
InChI=1SC24H22N4O5c1126371420(12)2523(31)24(14)1918(171051126(17)24)21(29)27(22(19)30)1584916(13(15)2)28(32)33h34691719H51011H212H3(H2531)t1718+1924+m0s1
MFCD18249294
O=C1N(C(=O)(C@H)2(C@@H)1(C@)1(C(=O)Nc3c1cccc3C)N1(C@H)2CCC1)c1cccc(c1C)(N+)(=O)(O)
ZINC000016000489
ZINC16000489

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Available files

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