Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-2'-(2-methoxy-4-nitrophenyl)-5,7-dimethyl-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
STL050267
SMILES COc1cc(ccc1N1C(=O)[C@H]2[C@@H](C1=O)[C@@]1(N3[C@H]2CCC3)C(=O)Nc2c1cc(C)cc2C)[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 C25H24N4O6 MW 476.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O6/c1-12-9-13(2)21-15(10-12)25(24(32)26-21)20-19(17-5-4-8-27(17)25)22(30)28(23(20)31)16-7-6-14(29(33)34)11-18(16)35-3/h6-7,9-11,17,19-20H,4-5,8H2,1-3H3,(H,26,32)/t17-,19+,20-,25+/m0/s1
InChIKey
GKDNGYRMOYIJID-XVIHEJCXSA-N
Synonyms
1013869-02-7
(3S3aR8aS8bS)2(2methoxy4nitrophenyl)57dimethyl3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)2(2methoxy4nitrophenyl)57dimethyl6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)2(2methoxy4nitrophenyl)57dimethylspiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013869027
CC1=CC(=C2C(=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=C(C=C6)(N+)(=O)(O))OC)C(=O)N2)C
COc1cc(ccc1N1C(=O)(C@H)2(C@@H)(C1=O)(C@@)1(N3(C@H)2CCC3)C(=O)Nc2c1cc(C)cc2C)(N+)(=O)(O)
InChI=1SC25H24N4O6c112913(2)2115(1012)25(24(32)2621)2019(1754827(17)25)22(30)28(23(20)31)167614(29(33)34)1118(16)353h67911171920H458H213H3(H2632)t1719+2025+m0s1
MFCD18249319
ZINC000061943427
ZINC61943427

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Available files

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