Vitas-M small molecule compound

(3S,3a'R,8a'S,8b'S)-5-methoxy-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
STK568732
SMILES COc1ccc2c(c1)[C@@]1(C(=O)N2)N2CCC[C@H]2[C@@H]2[C@H]1C(=O)N(C2=O)c1cc(ccc1OC)[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 C24H22N4O7 MW 478.46 g/mol Purity >90% as per NMR
InChI
InChI=1S/C24H22N4O7/c1-34-13-6-7-15-14(11-13)24(23(31)25-15)20-19(16-4-3-9-26(16)24)21(29)27(22(20)30)17-10-12(28(32)33)5-8-18(17)35-2/h5-8,10-11,16,19-20H,3-4,9H2,1-2H3,(H,25,31)/t16-,19+,20-,24+/m0/s1
InChIKey
CUMJHSMWEYUXTD-MDTICMOCSA-N
Synonyms
1013871-19-6
(3S3aR8aS8bS)5methoxy2(2methoxy5nitrophenyl)3a6788a8bhexahydro1Hspiro(indole34pyrrolo(34a)pyrrolizine)123(1H2H)trione
(3S3aR8aS8bS)5methoxy2(2methoxy5nitrophenyl)6788atetrahydro1Hspiro(indoline34pyrrolo(34a)pyrrolizine)123(2H3aH8bH)trione
(3S3aR8aS8bS)5methoxy2(2methoxy5nitrophenyl)spiro(1Hindole343a6788a8bhexahydropyrrolo(34a)pyrrolizine)123trione
1013871196
COC1=CC2=C(C=C1)NC(=O)C23C4C(C5N3CCC5)C(=O)N(C4=O)C6=C(C=CC(=C6)(N+)(=O)(O))OC
COc1ccc2c(c1)(C@@)1(C(=O)N2)N2CCC(C@H)2(C@@H)2(C@H)1C(=O)N(C2=O)c1cc(ccc1OC)(N+)(=O)(O)
InChI=1SC24H22N4O7c13413671514(1113)24(23(31)2515)2019(1643926(16)24)21(29)27(22(20)30)171012(28(32)33)5818(17)352h581011161920H349H212H3(H2531)t1619+2024+m0s1
MFCD18245249
ZINC000015998834
ZINC15998834

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Available files

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