Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-7-methyl-2'-(2-methyl-4-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
STL048435
SMILES Cc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cccc2C)[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/c1-12-5-3-6-15-20(12)25-23(31)24(15)19-18(17-7-4-10-26(17)24)21(29)27(22(19)30)16-9-8-14(28(32)33)11-13(16)2/h3,5-6,8-9,11,17-19H,4,7,10H2,1-2H3,(H,25,31)/t17-,18+,19-,24+/m0/s1
InChIKey
KXONZDYINQEQJK-UAKAABGRSA-N
Synonyms

(3S3aR8aS8bS)7methyl2(2methyl4nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)7methyl2(2methyl4nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)7methyl2(2methyl4nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1014002222
CC1=CC=CC2=C1NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=C(C=C6)(N+)(=O)(O))C
Cc1cc(ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cccc2C)(N+)(=O)(O)
InChI=1SC24H22N4O5c1125361520(12)2523(31)24(15)1918(17741026(17)24)21(29)27(22(19)30)169814(28(32)33)1113(16)2h35689111719H4710H212H3(H2531)t1718+1924+m0s1
MFCD18249198
ZINC000016000288
ZINC16000288

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Available files

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