Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5,7-dimethyl-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
STK569319
SMILES Cc1cc(C)c2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)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 C25H24N4O5 MW 460.49 g/mol Purity >90% as per NMR
InChI
InChI=1S/C25H24N4O5/c1-12-10-13(2)21-15(11-12)25(24(32)26-21)20-19(18-8-5-9-27(18)25)22(30)28(23(20)31)16-6-4-7-17(14(16)3)29(33)34/h4,6-7,10-11,18-20H,5,8-9H2,1-3H3,(H,26,32)/t18-,19+,20-,25+/m0/s1
InChIKey
JDYKBEHBYKZQFT-PBQROFAYSA-N
Synonyms
1013886-39-9
(3S3aR8aS8bS)57dimethyl2(2methyl3nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)57dimethyl2(2methyl3nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)57dimethyl2(2methyl3nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013886399
CC1=CC(=C2C(=C1)C3(C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C(=CC=C6)(N+)(=O)(O))C)C(=O)N2)C
Cc1cc(C)c2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cccc(c1C)(N+)(=O)(O)
InChI=1SC25H24N4O5c1121013(2)2115(1112)25(24(32)2621)2019(1885927(18)25)22(30)28(23(20)31)1664717(14(16)3)29(33)34h46710111820H589H213H3(H2632)t1819+2025+m0s1
MFCD18245284
ZINC000015999214
ZINC15999214

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Available files

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