Vitas-M small molecule compound

(3S,3'S,3a'S,6a'R)-5'-(3-nitrophenyl)-3'-(propan-2-yl)-3a',6a'-dihydro-2'H-spiro[indole-3,1'-pyrrolo[3,4-c]pyrrole]-2,4',6'(1H,3'H,5'H)-trione

Catalog ID
STK557057
SMILES CC([C@@H]1N[C@]2([C@H]3[C@@H]1C(=O)N(C3=O)c1cccc(c1)[N+](=O)[O-])C(=O)Nc1c2cccc1)C

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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 C22H20N4O5 MW 420.42 g/mol Purity >90% as per NMR
InChI
InChI=1S/C22H20N4O5/c1-11(2)18-16-17(22(24-18)14-8-3-4-9-15(14)23-21(22)29)20(28)25(19(16)27)12-6-5-7-13(10-12)26(30)31/h3-11,16-18,24H,1-2H3,(H,23,29)/t16-,17-,18-,22+/m0/s1
InChIKey
BSIKUHLEOMYPKY-VDNWNZSNSA-N
Synonyms
1013792-82-9
(1S3S3aR6aS)5(3nitrophenyl)1propan2ylspiro(123a6atetrahydropyrrolo(34c)pyrrole331Hindole)246trione
(1S3S3aS6aR)3isopropyl5(3nitrophenyl)33adihydro2Hspiro(indoline31pyrrolo(34c)pyrrole)246(5H6aH)trione
(3S3S3aS6aR)5(3nitrophenyl)3(propan2yl)3a6adihydro2Hspiro(indole31pyrrolo(34c)pyrrole)246(1H3H5H)trione
1013792829
CC((C@@H)1N(C@)2((C@H)3(C@@H)1C(=O)N(C3=O)c1cccc(c1)(N+)(=O)(O))C(=O)Nc1c2cccc1)C
CC(C)C1C2C(C(=O)N(C2=O)C3=CC(=CC=C3)(N+)(=O)(O))C4(N1)C5=CC=CC=C5NC4=O
InChI=1SC22H20N4O5c111(2)181617(22(2418)14834915(14)2321(22)29)20(28)25(19(16)27)1265713(1012)26(30)31h311161824H12H3(H2329)t16171822+m0s1
MFCD18242981
ZINC000015975126
ZINC15975126

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Available files

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