Vitas-M small molecule compound

(3a'R,8a'S,8b'S)-2'-phenyl-3a',6',7',8',8a',8b'-hexahydro-1'H-spiro[indene-2,4'-pyrrolo[3,4-a]pyrrolizine]-1,1',3,3'(2'H)-tetrone

Catalog ID
STK553443
SMILES O=C1N(c2ccccc2)C(=O)[C@H]2[C@@H]1[C@]1(N3[C@H]2CCC3)C(=O)c2c(C1=O)cccc2

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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 C23H18N2O4 MW 386.41 g/mol Purity >90% as per NMR
InChI
InChI=1S/C23H18N2O4/c26-19-14-9-4-5-10-15(14)20(27)23(19)18-17(16-11-6-12-24(16)23)21(28)25(22(18)29)13-7-2-1-3-8-13/h1-5,7-10,16-18H,6,11-12H2/t16-,17+,18-/m0/s1
InChIKey
PNRWENIMAZGMFJ-KSZLIROESA-N
Synonyms

(3aR8aS8bS)2phenyl3a6788a8bhexahydro1Hspiro(indene24pyrrolo(34a)pyrrolizine)1133(2H)tetrone
(3aR8aS8bS)2phenyl6788atetrahydro1Hspiro(indene24pyrrolo(34a)pyrrolizine)1133(2H3aH8bH)tetraone
(3aR8aS8bS)2phenylspiro(3a6788a8bhexahydropyrrolo(34a)pyrrolizine42indene)1133tetrone
C1CC2C3C(C(=O)N(C3=O)C4=CC=CC=C4)C5(N2C1)C(=O)C6=CC=CC=C6C5=O
InChI=1SC23H18N2O4c2619149451015(14)20(27)23(19)1817(161161224(16)23)21(28)25(22(18)29)137213813h157101618H61112H2t1617+18m0s1
O=C1N(c2ccccc2)C(=O)(C@H)2(C@@H)1(C@)1(N3(C@H)2CCC3)C(=O)c2c(C1=O)cccc2
O=C1N(c2ccccc2)C(=O)(C@H)2(C@@H)1C1(N3(C@H)2CCC3)C(=O)c2c(C1=O)cccc2
ZINC000016038551
ZINC16038551

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Available files

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